SCHEMBL3719902

SCHEMBL3719902

CCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(N(CCCN(C)C)C(C)=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
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NAMPT P43490 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
CYP19A1 P11511 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL2571239 1.00 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL2571237 1.00 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL31093978 1.00 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL2567836 0.95 RXFP1 (0.43) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL2567839 0.95 RXFP1 (0.43) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL31094012 0.95 RXFP1 (0.43) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL436187 0.93 SENP1 (0.37) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL30737878 0.93 SENP1 (0.37) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL436186 0.93 SENP1 (0.37) RXFP1SENP1SMN1; SMN2NPC1RAB9A
SCHEMBL2569460 0.91 RXFP1 (0.44) RXFP1SENP1SMN1; SMN2NPC1RAB9A

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
WO-2007057397-A1 TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-24 WO claimed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed
WO-2007057397-A1 TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-24 WO disclosed