SCHEMBL438246

SCHEMBL438246

CCOC(=O)c1cnc2c(Cl)ccc(OC)c2c1N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.56
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
AURKB Q96GD4 1/20 0.46
MEN1 O00255 2/20 0.45
PDE5A O76074 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
SCHEMBL440489 0.91 DPP4 (0.53) DPP4KMT2ANPC1RAB9APOLB
SCHEMBL437796 0.89 NPC1 (0.54) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL439833 0.84 HAVCR2 (0.53) DPP4KMT2ANPC1RAB9AMAPT
SCHEMBL440196 0.81 NPC1 (0.52) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL9829613 0.80 DPP4 (0.57) DPP4KMT2APOLBMAPTRXFP1
SCHEMBL436903 0.77 KMT2A (0.65) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL437101 0.77 KMT2A (0.65) KMT2ANPC1RAB9APOLBMAPT
SCHEMBL440425 0.77 KMT2A (0.68) KMT2ANPC1RAB9AMAPTAURKB
SCHEMBL5666906 0.76 DPP4 (0.53) DPP4KMT2APOLBMAPTRXFP1
SCHEMBL11250968 0.76 DPP4 (0.58) DPP4KMT2AMAPTMEN1

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