SCHEMBL14938449

SCHEMBL14938449

O=C(NN=CCc1ccco1)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 10/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL14938515 0.82 SMN1; SMN2 (0.47) HSD17B10SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL14938457 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1RAB9APOLBNPC1
SCHEMBL14942145 0.79 RAB9A (0.52) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL14938435 0.77 NPC1 (0.62) SMN1; SMN2ALDH1A1HPGDLMNAKMT2A
SCHEMBL14938434 0.77 NPC1 (0.62) SMN1; SMN2ALDH1A1HPGDLMNAKMT2A
SCHEMBL14938727 0.76 NPC1 (0.43) SMN1; SMN2ALDH1A1HPGDLMNAKMT2A
SCHEMBL14938453 0.76 GAA (0.43) SMN1; SMN2ALDH1A1HPGDLMNAKMT2A
SCHEMBL14938483 0.76 RAB9A (0.56) SMN1; SMN2ALDH1A1HPGDLMNAKMT2A
SCHEMBL14938600 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDLMNAKMT2A
SCHEMBL14938528 0.74 RAD51 (0.52) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1

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-2013067646-A1 PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS UNIVERSITY OF OTTAWA (CA) 2013-05-16 WO disclosed