SCHEMBL8443288

SCHEMBL8443288

COC(=O)c1cccc(-c2ccc(C)s2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.56
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IL2 P60568 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CDK8 P49336 1/20 0.48
ERN1 O75460 2/20 0.48
SDHB P21912 1/20 0.46
HPGD P15428 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL27108460 0.84 ALDH1A1 (0.55) TP53SMN1; SMN2CA12CA1CA2
SCHEMBL28716472 0.84 CNR1 (0.55) CNR1TP53SMN1; SMN2IL2GABRG2
SCHEMBL8443409 0.84 CNR1 (0.61) CNR1TP53SMN1; SMN2IL2GABRG2
SCHEMBL10154904 0.83 CNR1 (0.53) CNR1CDK8
SCHEMBL6253921 0.83 HDAC1 (0.60) CNR1SMN1; SMN2NPC1GAA
SCHEMBL67941 0.80 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CA12
SCHEMBL22834236 0.79 CNR1 (0.51) CNR1TP53SMN1; SMN2IL2GABRG2
SCHEMBL13571522 0.79 CA1 (0.60) CNR1TP53SMN1; SMN2CA12CA1
SCHEMBL10150917 0.79 CNR1 (0.47) CNR1NPC1GAAMAPT
SCHEMBL16086265 0.78 CSNK2A1 (0.55) CNR1SMN1; SMN2GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed