SCHEMBL1284485

SCHEMBL1284485

COc1ccccc1-c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.62
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 4/20 0.60
ERN1 O75460 1/20 0.51
RPS6KB2 Q9UBS0 2/20 0.50
LTA4H P09960 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL9796762 0.83 ADRA1D (0.48) APPRAB9ASMN1; SMN2NPC1ERN1
SCHEMBL10933267 0.83 RAB9A (0.49) APPRAB9ASMN1; SMN2NPC1ERN1
SCHEMBL28672054 0.83 SMN1; SMN2 (0.49) APPRAB9ASMN1; SMN2NPC1ERN1
SCHEMBL28992924 0.82 RAB9A (0.51) APPRAB9ASMN1; SMN2NPC1ERN1
SCHEMBL2780877 0.82 RPS6KB2 (0.56) RAB9ASMN1; SMN2NPC1ERN1RPS6KB2
SCHEMBL6769411 0.80 NPC1 (0.50) RAB9ASMN1; SMN2NPC1ERN1RPS6KB2
SCHEMBL153969 0.79 ADRA1D (0.52) RAB9ASMN1; SMN2NPC1LTA4HADRA2A
SCHEMBL9754595 0.79 ERN1 (0.67) RAB9ASMN1; SMN2NPC1ERN1RPS6KB2
SCHEMBL6448674 0.79 ALDH1A1 (0.67) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7213105 0.78 ERN1 (0.58) RAB9ASMN1; SMN2NPC1ERN1RPS6KB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789579-A Preparation method of ultrafast metal-free solvent-free disulfide bond-containing compound 南京工业大学 2023-09-22 CN claimed
CN-115521299-A Preparation method of lubabylon intermediate 天和药业股份有限公司 2022-12-27 CN claimed
WO-2021127642-A1 SELECTIVE VALORIZATION OF BIOMASS SUGARS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-24 WO claimed
CN-104837478-A Personal care compositions PROCTER & GAMBLE 2015-08-12 CN claimed
CN-104837973-A Fragrance materials PROCTER & GAMBLE 2015-08-12 CN claimed
CN-119798212-A Preparation method of lubabaril intermediate 2-thiophenol 浙江永太科技股份有限公司 2025-04-11 CN disclosed
CN-115926184-B Fe-Mn mixed metal MOF, preparation and application thereof in thiol catalytic oxidation 山西师范大学 2024-06-21 CN disclosed
CN-117425470-A Antiperspirant compositions 科蒂公司 2024-01-19 CN disclosed
CN-117264102-A Liquid rubber and preparation method and application thereof 中国石油化工股份有限公司 2023-12-22 CN disclosed
CN-116940326-A Antiperspirant compositions 科蒂公司 2023-10-24 CN disclosed
CN-114761410-B Pyrrolopyrimidinone compounds and application thereof 广州必贝特医药股份有限公司 2023-08-25 CN disclosed
CN-112955436-B 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 福建盛迪医药有限公司 2023-08-11 CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2003016307-A1 β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO disclosed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 WO disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed
US-5726208-A Heterocyclic tertiary amines ADIR ET COMPAGNIE (FR) 1998-03-10 US disclosed
EP-0427404-B1 Anthanthrone derivatives ZENECA LTD (GB) 1994-05-25 EP disclosed
EP-0427404-A2 Anthanthrone derivatives ZENECA LIMITED (GB) 1991-05-15 EP disclosed