SCHEMBL5318399

SCHEMBL5318399

CCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(N(CCN(C)C)S(C)(=O)=O)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
SENP1 Q9P0U3 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.39
GAA P10253 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
CETP P11597 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL480808 1.00 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL31093973 1.00 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2569773 1.00 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2571030 0.95 RXFP1 (0.43) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2571034 0.95 RXFP1 (0.43) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2570108 0.94 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2570111 0.94 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2570765 0.93 RXFP1 (0.41) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2570768 0.93 RXFP1 (0.41) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2566884 0.93 POLB (0.41) SENP1SMN1; SMN2NPC1RAB9AMAPT

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
WO-2007057397-A1 TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-24 WO claimed
WO-2007057397-A1 TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-24 WO disclosed