SCHEMBL8987167

SCHEMBL8987167

O=c1cc(-c2ccccc2)cc(-c2ccccc2F)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
NOTUM Q6P988 2/20 0.42
NPC1 O15118 2/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
TAS2R38 P59533 1/20 0.41
CDC7 O00311 1/20 0.40
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8986941 0.90 TNKS2 (0.47) TNKSTNKS2PIK3C3PTPRCPTPN1
SCHEMBL8799277 0.87 TNKS (0.49) TNKSTNKS2PTPRCPTPN1ADORA2A
SCHEMBL8987394 0.80 PIK3C3 (0.64) TNKS2PIK3C3NOTUMHTTSMN1; SMN2
SCHEMBL6756097 0.80 TAS2R38 (0.60) TNKS2PIK3C3NOTUMNPC1HTT
SCHEMBL9521473 0.79 ALDH1A1 (0.43) TNKS2PIK3C3HPGDMEN1LMNA
SCHEMBL8987070 0.78 CTSV (0.51) TNKSTNKS2NOTUMHTTHPGD
SCHEMBL6762114 0.78 CTSV (0.51) TNKSTNKS2NOTUMHTTHPGD
SCHEMBL8987318 0.77 HPGD (0.55) TNKS2NOTUMSMN1; SMN2HPGDMAPK1
SCHEMBL31078212 0.76 MPO (0.62) TNKS2PTPRCPTPN1NPC1HTT
SCHEMBL5416571 0.76 CDC7 (0.70) MAPK1CDC7

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