SCHEMBL8987193

SCHEMBL8987193

N#Cc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
ATM Q13315 1/20 0.49
KDM4E B2RXH2 5/20 0.48
GAA P10253 3/20 0.48
TAS2R38 P59533 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 2/20 0.44
NOTUM Q6P988 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
MARK3 P27448 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
CCNB2 O95067 1/20 0.44

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
SCHEMBL6756097 0.86 TAS2R38 (0.60) ATMKDM4EGAATAS2R38ALDH1A1
SCHEMBL8987066 0.80 HPGD (0.51) KDM4EGAATAS2R38ALDH1A1KMT2A
SCHEMBL19955621 0.80 ALDH1A1 (0.52) CYP19A1KDM4EGAATAS2R38ALDH1A1
SCHEMBL8987070 0.80 CTSV (0.51) KDM4EGAATAS2R38ALDH1A1NOTUM
SCHEMBL6762114 0.80 CTSV (0.51) KDM4EGAATAS2R38ALDH1A1NOTUM
SCHEMBL8799713 0.80 HPGD (0.51) KDM4EGAATAS2R38ALDH1A1KMT2A
SCHEMBL8987106 0.80 CYP1A2 (0.52) CYP19A1KDM4EGAATAS2R38ALDH1A1
SCHEMBL8987311 0.80 CYP1A2 (0.52) CYP19A1KDM4EGAATAS2R38ALDH1A1
SCHEMBL13682562 0.78 TSHR (0.59) CYP19A1GSK3BGABRA1GABRG2GABRB3
SCHEMBL72569 0.76 TSHR (0.68) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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