SCHEMBL438878

SCHEMBL438878

CCOC(=O)c1cnc2c(C)cccc2c1N

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
MAPT P10636 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
TP53 P04637 2/20 0.55
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL440812 0.88 KMT2A (0.70) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL440043 0.87 KMT2A (0.68) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL10126200 0.87 KMT2A (0.68) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL437697 0.87 KMT2A (0.68) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL440425 0.87 KMT2A (0.68) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL436627 0.86 KMT2A (0.67) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL11249360 0.85 MAPT (0.57) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL442163 0.85 KMT2A (0.65) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2020438 0.84 KMT2A (0.71) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL439469 0.84 KMT2A (0.67) KMT2ANPC1RAB9AMAPTALDH1A1

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