SCHEMBL3714840

SCHEMBL3714840

CCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 7/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NAMPT P43490 1/20 0.41
DHODH Q02127 1/20 0.41
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
CETP P11597 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2123046 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGAARXFP1
SCHEMBL2123050 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGAARXFP1
SCHEMBL2573629 0.93 RXFP1 (0.49) SMN1; SMN2NPC1RAB9AGAARXFP1
SCHEMBL3713856 0.91 RAB9A (0.44) NPC1RAB9AGAAMAPTMEN1
SCHEMBL2122346 0.91 RAB9A (0.44) NPC1RAB9AGAAMAPTMEN1
SCHEMBL2122343 0.91 RAB9A (0.44) NPC1RAB9AGAAMAPTMEN1
SCHEMBL481166 0.91 RXFP1 (0.51) SMN1; SMN2NPC1RAB9AGAARXFP1
SCHEMBL481167 0.91 RXFP1 (0.51) SMN1; SMN2NPC1RAB9AGAARXFP1
SCHEMBL479804 0.90 BACE1 (0.51) SMN1; SMN2NPC1RAB9AGAARXFP1
SCHEMBL479808 0.90 BACE1 (0.51) SMN1; SMN2NPC1RAB9AGAARXFP1

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