SCHEMBL439424

SCHEMBL439424

CCOC(=O)c1cnc2cc(C)cc(C)c2c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IKBKB O14920 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
SCHEMBL27659692 0.85 L3MBTL1 (0.44) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL438922 0.81 KDM4E (0.53) KMT2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7069958 0.80 ALDH1A1 (0.43) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL25999187 0.79 ALDH1A1 (0.47) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL438266 0.79 KMT2A (0.47) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL440854 0.79 AURKA (0.57) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL439457 0.78 NPC1 (0.57) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL25999202 0.78 DPP4 (0.51) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL25999208 0.77 HPGD (0.51) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL438198 0.76 MAPK1 (0.63) NPC1RAB9AKMT2AALDH1A1KDM4E

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