SCHEMBL14532003

SCHEMBL14532003

CCc1ccc(-c2cn(C)c(C(=O)O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
CA12 O43570 1/20 0.48
ALPL P05186 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 7/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 7/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL14531655 0.84 RAB9A (0.45) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL12582232 0.83 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2ALPLMAPTTP53
SCHEMBL2103537 0.81 RXFP1 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
Lithium SCHEMBL31133404 0.81 SCN9A (0.46) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL10269165 0.74 TARBP2 (0.50) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL27164122 0.72 L3MBTL1 (0.36) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL7431062 0.72 KMO (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL260602 0.71 ALDH1A1 (0.51) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL12907953 0.70 SCN9A (0.61) RAB9ASMN1; SMN2MAPTTP53NPC1
SCHEMBL12582233 0.70 RAB9A (0.48) RAB9ASMN1; SMN2ALPLMAPTNPC1

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-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed