SCHEMBL9369232

SCHEMBL9369232

CC(C)Cc1ccc(/C=C/c2cccc(C#N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.47
CNR2 P34972 6/20 0.47
FBP1 P09467 1/20 0.46
GLA P06280 1/20 0.41
P4HB P07237 5/20 0.41
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL9369237 1.00 CNR1 (0.47) CNR1CNR2FBP1GLAP4HB
SCHEMBL9186668 0.82 FBP1 (0.61) FBP1P4HB
SCHEMBL21574844 0.82 FBP1 (0.61) FBP1P4HB
SCHEMBL9186663 0.82 FBP1 (0.61) FBP1P4HB
SCHEMBL1687873 0.79 FBP1 (0.57) FBP1P4HB
SCHEMBL21574806 0.79 FBP1 (0.57) FBP1P4HB
SCHEMBL9190221 0.79 FBP1 (0.57) FBP1P4HB
SCHEMBL1687907 0.79 FBP1 (0.57) FBP1P4HB
SCHEMBL5199115 0.79 FBP1 (0.40) CNR1CNR2FBP1GLAP4HB
SCHEMBL1687910 0.79 FBP1 (0.65) FBP1P4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed