SCHEMBL720957

SCHEMBL720957

c1ccc(-c2cc[nH]c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NOTUM Q6P988 2/20 0.43
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
PPARA Q07869 1/20 0.37
IDO1 P14902 1/20 0.37
NPC1 O15118 2/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL28306614 0.97 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL21277361 0.97 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL1829400 0.92
SCHEMBL30935373 0.89 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
Hydrochloric Acid SCHEMBL5679694 0.89 CYP1A2 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
Pyridine SCHEMBL28171033 0.87 NOTUM (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL3691479 0.85 CYP1A2 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
Methyl Alcohol SCHEMBL8664080 0.84 CYP3A4 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL28018082 0.82 NOTUM (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL28253236 0.80 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119956318-A Chemical vapor deposition collaborative preparation process of composite semiconductor material 天津赛威工业技术有限公司 2025-05-09 CN claimed
US-20210292766-A1 Inhibition of Protein Kinases to Treat Friedreich Ataxia UNIVERSITY OF MASSACHUSETTS 2021-09-23 US claimed
CN-104902897-A Combination of opioids and anticancer drugs for cancer treatment UNI ULM 2015-09-09 CN claimed
US-20090014920-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2009-01-15 US claimed
US-20080171211-A1 Using electrically conductive polymer which during change in potential releases anions which inhibit the anodic or/and cathodic partial reaction of corrosion or/and releases adhesion-promoting anions CHEMETALL GMBH (DE) 2008-07-17 US claimed
CN-101035631-A Method for protecting a metal surface by means of a corrosion-inhibiting coating CHEMETALL GMBH (DE) 2007-09-12 CN claimed
EP-1776196-A2 METHOD FOR PROTECTING A METAL SURFACE BY MEANS OF A CORROSION-INHIBITING COATING Chemetall GmbH (DE) 2007-04-25 EP claimed
WO-2006015754-A2 METHOD FOR PROTECTING A METAL SURFACE BY MEANS OF A CORROSION-INHIBITING COATING CHEMETALL GMBH (DE) 2006-02-16 WO claimed
WO-2006001719-A1 POLYMER FILAMENTS MASSEY UNIVERSITY (NZ) 2006-01-05 WO claimed
EP-0835606-B1 Synergistic microbicidal compositions AGRASOL INC (US) 2000-08-16 EP claimed
US-5415893-A Dispersion of electrically conductive particles in a dispersing medium DSM N.V. (NL) 1995-05-16 US claimed
EP-0378046-B1 Process for the preparation of 3-phenyl-pyrrole derivatives CIBA GEIGY AG (CH) 1995-01-18 EP claimed
WO-1994010845-A2 SYNERGISTIC MICROBICIDAL COMPOSITIONS CIBA-GEIGY AG (CH) 1994-05-26 WO claimed
EP-0182738-B1 PROCESS FOR THE PREPARATION OF FUNGICIDALLY ACTIVE 4-PHENYL-PYRROLE DERIVATIVES CIBA-GEIGY AG (CH) 1992-04-08 EP claimed
US-4958030-A Process for the preparation of 3-phenylpyrrole derivatives CIBA-GEIGY CORPORATION (US) 1990-09-18 US claimed
EP-0174910-B1 PROCESS FOR THE PREPARATION OF 4-PHENYL-PYRROLE DERIVATIVES CIBA-GEIGY AG (CH) 1990-04-04 EP claimed
US-4868202-A CONTROLLING PHYTOPATHOGENIC FUNGI CIBA-GEIGY CORPORATION (US) 1989-09-19 US claimed
US-4812580-A FROM A PHENACYLAMINE AND ACRYLONITRILE DERIVATIVE, CYCLIZATION, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1989-03-14 US claimed
US-4471126-A DEHYDROHALOGENATION, CYCLIZATION NIPPON SODA COMPANY LIMITED (JP) 1984-09-11 US claimed
EP-0092890-A1 Method for the production of 3-phenylpyrrole derivatives NIPPON SODA CO., LTD. (JP) 1983-11-02 EP claimed