SCHEMBL3787940

SCHEMBL3787940

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CETP P11597 2/20 0.37
SENP1 Q9P0U3 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 4/20 0.36
USP2 O75604 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL19133987 1.00 MAPT (0.42) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL479283 0.92 RXFP1 (0.42) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL2569908 0.92 RXFP1 (0.42) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL480808 0.90 RXFP1 (0.42) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL5318399 0.90 RXFP1 (0.42) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL2569773 0.90 RXFP1 (0.42) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL31093973 0.90 RXFP1 (0.42) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL2570768 0.89 RXFP1 (0.41) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL2570765 0.89 RXFP1 (0.41) MAPTRXFP1SMN1; SMN2GAANPC1
SCHEMBL2572053 0.89 RXFP1 (0.41) MAPTRXFP1SMN1; SMN2GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed