SCHEMBL8987311

SCHEMBL8987311

O=c1cc(-c2ccc(Cl)cc2)cc(-c2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 5/20 0.51
PDE10A Q9Y233 1/20 0.51
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 4/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
TAS2R38 P59533 1/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL8987106 1.00 CYP1A2 (0.52) CYP1A2KMT2AKDM4EPDE10AALDH1A1
SCHEMBL8987241 0.93 KDM4E (0.55) CYP1A2KMT2AKDM4EPDE10AALDH1A1
SCHEMBL6756097 0.89 TAS2R38 (0.60) KDM4EALDH1A1HPGDLMNATAS2R38
SCHEMBL8986949 0.85 NOTUM (0.50) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL8987030 0.83 HTT (0.47) CYP1A2KMT2AKDM4EALDH1A1MEN1
SCHEMBL6762114 0.83 CTSV (0.51) KDM4EALDH1A1HPGDLMNATAS2R38
SCHEMBL8987070 0.83 CTSV (0.51) KDM4EALDH1A1HPGDLMNATAS2R38
SCHEMBL8799713 0.83 HPGD (0.51) CYP1A2KMT2AKDM4EALDH1A1MEN1
SCHEMBL8987066 0.83 HPGD (0.51) CYP1A2KMT2AKDM4EALDH1A1MEN1
SCHEMBL19955621 0.83 ALDH1A1 (0.52) KMT2AKDM4EALDH1A1MEN1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed