SCHEMBL491095

SCHEMBL491095

COc1ccc(C=C[N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 1.00
EGFR P00533 4/20 0.68
ERBB2 P04626 2/20 0.68
TLR4 O00206 2/20 0.64
TLR2 O60603 2/20 0.64
VCP P55072 2/20 0.62
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 2/20 0.57
HTT P42858 2/20 0.57
GALR2 O43603 1/20 0.57
SYK P43405 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NFE2L2 Q16236 1/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL491094 1.00 FBP1 (1.00) FBP1EGFRERBB2TLR4TLR2
Anisaldehyde SCHEMBL5030943 0.93 FBP1 (0.87) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6539480 0.90 FBP1 (0.81) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6539482 0.90 FBP1 (0.81) FBP1EGFRERBB2TLR4TLR2
SCHEMBL6910818 0.83 FBP1 (0.78) FBP1EGFRTLR4TLR2VCP
SCHEMBL6910815 0.83 FBP1 (0.78) FBP1EGFRTLR4TLR2VCP
SCHEMBL334577 0.81 FBP1 (0.70) FBP1EGFRERBB2TLR4TLR2
SCHEMBL334578 0.81 FBP1 (0.70) FBP1EGFRERBB2TLR4TLR2
SCHEMBL18533681 0.81 FBP1 (0.68) FBP1EGFRERBB2TLR4TLR2
SCHEMBL16632342 0.80 PTGS2 (0.69) FBP1EGFRERBB2TLR4TLR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119678922-A Application of nitrostyrenes compound in preventing, controlling or resisting plant pathogenic nematodes and preparation thereof 广西田园生化股份有限公司 2025-03-25 CN claimed
CN-115521208-B Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2023-09-01 CN claimed
CN-113943242-B Preparation method of polysubstituted pyrrole compound 浙江工业大学 2023-08-15 CN claimed
CN-116539901-A Application of differential metabolite as diagnostic marker and kit 中国医学科学院北京协和医院 2023-08-04 CN claimed
CN-115521208-A Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2022-12-27 CN claimed
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN claimed
CN-102115446-B Method for catalytically synthesizing chiral curcumin analogs UNIV EAST CHINA SCIENCE & TECH 2014-05-07 CN claimed
US-7956155-B2 Nanoporous crystalline form of syndiotactic polystyrene, processes for its preparation and related molecular-complex crystalline forms Università degli Studi di Salerno (IT) 2011-06-07 US claimed
US-20100210806-A1 NEW NANOPOROUS CRYSTALLINE FORM OF SYNDIOTACTIC POLYSTIRENE, PROCESSES FOR ITS PREPARATION AND RELATED MOLECULAR-COMPLEX CRYSTALLINE FORMS UNIVERSITA DEGLI STUDI DI SALEMO (IT) 2010-08-19 US claimed
EP-2059541-B1 NEW NANOPOROUS CRYSTALLINE FORM OF SYNDIOTACTIC POLYSTYRENE, PROCESSES FOR ITS PREPARATION AND RELATED MOLECULAR-COMPLEX CRYSTALLINE FORMS UNIV DEGLI STUDI SALERNO (IT) 2010-06-23 EP claimed
EP-2059541-A2 NEW NANOPOROUS CRYSTALLINE FORM OF SYNDIOTACTIC POLYSTYRENE, PROCESSES FOR ITS PREPARATION AND RELATED MOLECULAR-COMPLEX CRYSTALLINE FORMS Guerra, Gaetano (IT) 2009-05-20 EP claimed
WO-2008023331-A2 NEW NANOPOROUS CRYSTALLINE FORM OF SYNDIOTACTIC POLYSTYRENE, PROCESSES FOR ITS PREPARATION AND RELATED MOLECULAR-COMPLEX CRYSTALLINE FORMS GUERRA GAETANO (IT) 2008-02-28 WO claimed
CN-119678922-A Application of nitrostyrenes compound in preventing, controlling or resisting plant pathogenic nematodes and preparation thereof 广西田园生化股份有限公司 2025-03-25 CN disclosed
CN-119678922-A Application of nitrostyrenes compound in preventing, controlling or resisting plant pathogenic nematodes and preparation thereof 广西田园生化股份有限公司 2025-03-25 CN disclosed
CN-117983295-A Chiral nanoparticle catalytic system for asymmetric Michael addition reaction and application thereof 中国科学院大连化学物理研究所 2024-05-07 CN disclosed
CN-115521208-B Novel coronavirus 3CL protease inhibitor and application 天津科技大学 2023-09-01 CN disclosed
US-4656298-A MUSCLE RELAXANTS, STIMULANTS, ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
US-4148795-A Dithiocarbamate ester bactericides and fungicides AMERICAN CYANAMID COMPANY (US) 1979-04-10 US disclosed
US-4038288-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-07-26 US disclosed
US-4011230-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-03-08 US disclosed