SCHEMBL4639633

SCHEMBL4639633

NC(=O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 1/20 0.62
GAA P10253 1/20 0.59
THRB P10828 1/20 0.59
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 3/20 0.56
GPR35 Q9HC97 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
F10 P00742 1/20 0.56
PLAU P00749 1/20 0.56
PLAT P00750 1/20 0.56
LMNA P02545 1/20 0.53
ERN1 O75460 1/20 0.51
KCNMA1 Q12791 1/20 0.51
POLB P06746 1/20 0.51
MITF O75030 1/20 0.51
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL29771149 1.00 L3MBTL1 (0.63) L3MBTL1KMT2AGAATHRBALDH1A1
SCHEMBL3028110 0.85 KMT2A (0.67) L3MBTL1KMT2AGAATHRBALDH1A1
SCHEMBL27129636 0.85 L3MBTL1 (0.67) L3MBTL1KMT2AGAATHRBALDH1A1
SCHEMBL6398309 0.85 KMT2A (0.71) KMT2AGAAALDH1A1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL29079546 0.83 KMT2A (0.69) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL30322798 0.83 ALDH1A1 (0.69) L3MBTL1KMT2AGAATHRBALDH1A1
Methane SCHEMBL28308571 0.83 KMT2A (0.69) KMT2AGAAALDH1A1SMN1; SMN2TSHR
SCHEMBL129889 0.83 ALDH1A1 (0.69) L3MBTL1KMT2AGAATHRBALDH1A1
SCHEMBL22890327 0.83 KMT2A (0.64) KMT2AGAATHRBALDH1A1SMN1; SMN2
SCHEMBL346217 0.83 KMT2A (0.64) KMT2AGAATHRBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-105875609-A Agricultural fungicide 重庆市赛欧生态农业有限公司 2016-08-24 CN claimed
CN-102179027-B Ferrocene extinguishing composition SHANNXI J & R FIRE PROT CO LTD 2012-06-27 CN claimed
CN-102179027-A Ferrocene extinguishing composition SHANNXI J & R FIRE PROT CO LTD 2011-09-14 CN claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
CN-1312991-C Agricultural bactericidal agent INST OCEANOLOGY CHINESE ACAD (CN) 2007-05-02 CN claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
CN-1745629-A A kind of agricultural bacteriocide MARINE INST CHINESE ACADEMY OF (CN) 2006-03-15 CN claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-0622672-B1 Photographic colour couplers, methods of making them and photographic materials containing them KODAK LTD (GB) 1998-02-11 EP claimed
US-5491049-A COLOR COUPLER CONTAINS A DOUBLE BOND VINYL TO A SECONDARY AMINE GROUP EASTMAN KODAK COMPANY (US) 1996-02-13 US claimed
EP-0622672-A1 Photographic colour couplers, methods of making them and photographic materials containing them KODAK LIMITED (GB) 1994-11-02 EP claimed
WO-2022160138-A1 BENZOXAZINE-4-ONE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 承德医学院 2022-08-04 WO disclosed
CN-112442022-B Benzoxazine-4-ketone compound, preparation method and medical application thereof 承德医学院 2022-05-20 CN disclosed
CN-112442022-A Benzoxazine-4-ketone compound, preparation method and medical application thereof 承德医学院 2021-03-05 CN disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
WO-1990003379-A1 PHOTOCHROMIC SUBSTANCES OPTISCHE WERKE G. RODENSTOCK (DE) 1990-04-05 WO disclosed
EP-0222274-B1 2-HYDROXYBENZAMIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1988-08-17 EP disclosed
EP-0260939-A2 Molecules with antibody combining sites that exhibit catalytic properties SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-03-23 EP disclosed
EP-0222274-A1 2-Hydroxybenzamides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-05-20 EP disclosed