SCHEMBL437697

SCHEMBL437697

CCOC(=O)c1cnc2c(Br)cccc2c1N

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HAVCR2 Q8TDQ0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL438878 0.87 KMT2A (0.71) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL20138823 0.87 KMT2A (0.51) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL3061001 0.86 KMT2A (0.50) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL440812 0.86 KMT2A (0.70) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL436629 0.85 KMT2A (0.65) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL440043 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL440425 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL10126200 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL6293263 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL17128365 0.84 KMT2A (0.60) 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