SCHEMBL4776497

SCHEMBL4776497

COC(=O)c1cc(N)n2cc(C)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 8/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ ATAD2 Q6PL18 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GAA P10253 2/20 0.38

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
Bromide SCHEMBL4776618 0.84 KDM4E (0.41) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL4781623 0.78 KDM4E (0.44) MAPTKDM4EALDH1A1ATAD2CA12
SCHEMBL31000736 0.77 ALDH1A1 (0.43) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL20840130 0.73 KDM4E (0.42) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL24090460 0.72 ATM (0.45) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL976070 0.72 KDM4E (0.48) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL9721533 0.72 HDAC1 (0.52) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL4779436 0.72 ABL1 (0.40) MAPTHPGDMEN1KMT2AHSD17B10
SCHEMBL19822892 0.70 CHRM4 (0.60) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5204247 0.69 KDM4E (0.61) KDM4EALDH1A1CA12CA1CA2

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
WO-2008015196-A1 5-,7-BIS-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINES NYCOMED GMBH (DE) 2008-02-07 — — WO disclosed
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