SCHEMBL8799277

SCHEMBL8799277

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
TAS2R38 P59533 1/20 0.49
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
NOTUM Q6P988 1/20 0.46
HPGD P15428 5/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
CDC7 O00311 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ADORA2A P29274 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
SCHEMBL8987167 0.87 TNKS (0.46) TNKSTNKS2TAS2R38PTPRCPTPN1
SCHEMBL8987087 0.80 PIK3C3 (0.53) TNKS2TAS2R38NOTUMHPGDKDM4E
SCHEMBL6756097 0.80 TAS2R38 (0.60) TNKS2TAS2R38NOTUMHPGDKDM4E
SCHEMBL8987070 0.78 CTSV (0.51) TNKSTNKS2TAS2R38NOTUMHPGD
SCHEMBL6762114 0.78 CTSV (0.51) TNKSTNKS2TAS2R38NOTUMHPGD
SCHEMBL8986941 0.78 TNKS2 (0.47) TNKSTNKS2PTPRCPTPN1MAPT
SCHEMBL8987074 0.77 HPGD (0.51) TNKS2TAS2R38NOTUMHPGDKDM4E
SCHEMBL9521473 0.74 ALDH1A1 (0.43) TNKS2HPGDKDM4ELMNAALDH1A1
SCHEMBL8987318 0.73 HPGD (0.55) TNKS2TAS2R38NOTUMHPGDKDM4E
SCHEMBL3730707 0.72 NOTUM (0.68) TNKS2TAS2R38NOTUMHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1145619-A Substituted pyridine leukotriene B4 antagonists HOFFMANN LA ROCHE (CH) 1997-03-19 CN disclosed
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO 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