SCHEMBL8986941

SCHEMBL8986941

O=c1cc(-c2ccc(F)cc2)cc(-c2ccccc2F)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.47
TNKS O95271 1/20 0.47
PTPN1 P18031 2/20 0.45
PTPRC P08575 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.42
CDC7 O00311 1/20 0.41
MAPT P10636 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
MAPK14 Q16539 2/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL8987167 0.90 TNKS (0.46) TNKS2TNKSPTPN1PTPRCPIK3C3
SCHEMBL6762114 0.82 CTSV (0.51) TNKS2TNKSMAPTCTSVCTSL
SCHEMBL8987070 0.82 CTSV (0.51) TNKS2TNKSMAPTCTSVCTSL
SCHEMBL9521473 0.82 ALDH1A1 (0.43) TNKS2PIK3C3MAPK14
SCHEMBL8799277 0.78 TNKS (0.49) TNKS2TNKSPTPN1PTPRCCDC7
SCHEMBL5416571 0.76 CDC7 (0.70) CDC7CSNK1D
SCHEMBL8987318 0.71 HPGD (0.55) TNKS2MAPT
SCHEMBL8987394 0.71 PIK3C3 (0.64) TNKS2PIK3C3MAPT
SCHEMBL6756097 0.70 TAS2R38 (0.60) TNKS2PIK3C3MAPTCTSVCTSL
SCHEMBL533630 0.69 PTGS2 (0.50) PTPN1PTPRCMAPTMAPK14CSNK1D

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