SCHEMBL480982

SCHEMBL480982

CCOC(=O)c1ccc2c(c1)NC(=C(Nc1ccc(N(CCN3CCNCC3)S(C)(=O)=O)cc1)c1ccccc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
CASR P41180 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CETP P11597 1/20 0.35
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL2563747 0.91 RXFP1 (0.38) GAACASRRXFP1SMN1; SMN2NPC1
SCHEMBL2563743 0.91 RXFP1 (0.38) GAACASRRXFP1SMN1; SMN2NPC1
SCHEMBL2120498 0.87 SENP1 (0.41) GAACASRRXFP1SMN1; SMN2NPC1
SCHEMBL3151999 0.85 ALDH1A1 (0.40) GAARXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL3152005 0.85 ALDH1A1 (0.40) GAARXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL480533 0.84 ALDH1A1 (0.41) GAARXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL480535 0.84 ALDH1A1 (0.41) GAARXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL480521 0.84 CASR (0.41) CASRSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL480523 0.84 CASR (0.41) CASRSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL480455 0.83 SMN1; SMN2 (0.41) GAACASRRXFP1SMN1; SMN2RAB9A

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-2411034-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS Life & Brain GmbH (DE) 2012-02-01 EP disclosed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed