SCHEMBL437138

SCHEMBL437138

CCOC(=O)c1cnc2c(C)ccc(C)c2c1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 1/20 0.45
DPP4 P27487 1/20 0.45
CSNK1D P48730 1/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL440196 0.89 NPC1 (0.52) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL439469 0.81 KMT2A (0.67) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL438878 0.81 KMT2A (0.71) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL437796 0.81 NPC1 (0.54) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL440159 0.81 MAPT (0.62) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL438132 0.80 GABRP (0.49) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL438246 0.76 DPP4 (0.56) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL440489 0.76 DPP4 (0.53) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL439457 0.75 NPC1 (0.57) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL439424 0.75 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed