SCHEMBL8987203

SCHEMBL8987203

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.56
SCN2A Q99250 2/20 0.50
GLO1 Q04760 1/20 0.50
BACE1 P56817 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TNKS O95271 2/20 0.48
PARP1 P09874 1/20 0.48
TAS2R38 P59533 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
HPGD P15428 2/20 0.44
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
DGAT1 O75907 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL8987300 1.00 KIF11 (0.56) KIF11SCN2AGLO1BACE1ALDH1A1
SCHEMBL6756097 0.85 TAS2R38 (0.60) ALDH1A1MAPTSMN1; SMN2TDP1TAS2R38
SCHEMBL8987070 0.82 CTSV (0.51) ALDH1A1MAPTTDP1TNKSTAS2R38
SCHEMBL6762114 0.82 CTSV (0.51) ALDH1A1MAPTTDP1TNKSTAS2R38
SCHEMBL2087491 0.82 PARP1 (0.50) KIF11SCN2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19955621 0.79 ALDH1A1 (0.52) ALDH1A1MAPTTDP1TNKSTAS2R38
SCHEMBL8987066 0.79 HPGD (0.51) ALDH1A1MAPTSMN1; SMN2TDP1PARP1
SCHEMBL8799713 0.79 HPGD (0.51) ALDH1A1MAPTSMN1; SMN2TDP1PARP1
SCHEMBL8987311 0.79 CYP1A2 (0.52) SCN2AALDH1A1MAPTSMN1; SMN2PARP1
SCHEMBL8987106 0.79 CYP1A2 (0.52) SCN2AALDH1A1MAPTSMN1; SMN2PARP1

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