SCHEMBL16404137

SCHEMBL16404137

O=C(c1cc(-c2csc(-c3cccc(Br)c3)n2)c[nH]1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45
EIF4E P06730 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.40
SHMT1 P34896 2/20 0.40
SHMT2 P34897 2/20 0.40

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
SCHEMBL14224939 0.88 ATP4A (0.61) ATP4AATP4BPOLBMAPK1MAPK10
SCHEMBL14224947 0.88 MAPK1 (0.59) ATP4AATP4BMAPK1MAPK10EIF4E
SCHEMBL16404108 0.88 ATP4A (0.56) ATP4AATP4BMAPK1MAPK10EIF4E
SCHEMBL14224966 0.88 ATP4A (0.56) ATP4AATP4BMAPK1MAPK10EIF4E
SCHEMBL14315466 0.88 ATP4A (0.58) ATP4AATP4BMAPK1MAPK10EIF4E
SCHEMBL16404008 0.87 ATP4A (0.60) ATP4AATP4BMAPK1MAPK10EIF4E
SCHEMBL14224937 0.85 ATP4A (0.53) ATP4AATP4BMAPK1EIF4EALDH1A1
SCHEMBL14315465 0.84 ATP4A (0.52) ATP4AATP4BPOLBMAPK1MAPK10
SCHEMBL14224911 0.84 ATP4A (0.56) ATP4AATP4BPOLBMAPK1ALDH1A1
SCHEMBL16404009 0.84 ATP4A (0.54) ATP4AATP4BPOLBMAPK1MAPK10

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-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed