SCHEMBL8987394

SCHEMBL8987394

O=c1cc(-c2ccccc2)cc(-c2ccccc2Cl)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.64
CYP2A6 P11509 1/20 0.47
TNKS2 Q9H2K2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
NOTUM Q6P988 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
PIM1 P11309 2/20 0.41

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
SCHEMBL8987087 0.87 PIK3C3 (0.53) PIK3C3CYP2A6TNKS2ALDH1A1MAPK1
SCHEMBL9520805 0.83 PIK3C3 (0.52) PIK3C3TNKS2ALDH1A1MEN1KMT2A
SCHEMBL19259409 0.82 PIK3C3 (0.56) PIK3C3TNKS2ALDH1A1MAPK1POLB
SCHEMBL8987167 0.80 TNKS (0.46) PIK3C3TNKS2MAPK1MAPTL3MBTL1
SCHEMBL6756097 0.80 TAS2R38 (0.60) PIK3C3TNKS2ALDH1A1MAPK1MAPT
SCHEMBL20764787 0.79 PIK3C3 (1.00) PIK3C3
SCHEMBL3329851 0.79 PIM1 (0.65) PIK3C3TNKS2ALDH1A1MAPK1POLB
SCHEMBL8987106 0.78 CYP1A2 (0.52) ALDH1A1MAPTMEN1KMT2ARXFP1
SCHEMBL19259508 0.78 PIK3C3 (0.52) PIK3C3TNKS2ALDH1A1MAPK1POLB
SCHEMBL8987311 0.78 CYP1A2 (0.52) ALDH1A1MAPTMEN1KMT2ARXFP1

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