SCHEMBL3902108

SCHEMBL3902108

CCNc1cccc(C)c1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP2 O75604 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
BRCA1 P38398 1/20 0.39
LTA4H P09960 1/20 0.39
GAA P10253 5/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37

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
SCHEMBL1133289 0.78 MGAM (0.47) MEN1KMT2ALTA4HGAAALDH1A1
SCHEMBL3907480 0.74 MEN1 (0.42) MEN1KMT2AUSP2CASP1CASP7
SCHEMBL3907344 0.72 ADRA2C (0.46) MEN1KMT2AUSP2CASP1CASP7
SCHEMBL6371894 0.72 CD44 (0.45) MEN1KMT2ALTA4HGAAALDH1A1
SCHEMBL11869781 0.70 ALDH1A1 (0.47) MEN1KMT2ALTA4HGAAALDH1A1
SCHEMBL27912112 0.70 KDM4E (0.46) ADORA2AADORA1MEN1KMT2ACASP1
SCHEMBL28222648 0.70 LTA4H (0.57) MEN1KMT2ALTA4HGAAALDH1A1
SCHEMBL27466376 0.70 CD44 (0.46) MEN1KMT2AUSP2CASP1CASP7
SCHEMBL1122539 0.69 MAPT (0.53) MEN1KMT2AUSP2CASP1CASP7
SCHEMBL3916722 0.69 QPCT (0.53) MEN1KMT2AUSP2CASP1CASP7

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-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed