SCHEMBL436629

SCHEMBL436629

CCOC(=O)c1cnc2c(C)c(Br)ccc2c1N

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALOX15 P16050 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL439469 0.87 KMT2A (0.67) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL15054185 0.86 KMT2A (0.47) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL436903 0.85 KMT2A (0.65) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL437697 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL439981 0.84 HAVCR2 (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL438293 0.80 NPC1 (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL440533 0.80 KMT2A (0.65) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL437101 0.80 KMT2A (0.65) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL438878 0.79 KMT2A (0.71) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL440812 0.78 KMT2A (0.70) KMT2ANPC1RAB9AMEN1ALDH1A1

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