SCHEMBL11049540

SCHEMBL11049540

CCC(=O)OCCN(CC)c1cccc(NC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
NR4A1 P22736 1/20 0.48
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
NPC1 O15118 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CSNK2A1 P68400 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IGLV6-57 P01721 1/20 0.41

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
SCHEMBL11049552 0.90 RAB9A (0.47) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL11520788 0.88 MEN1 (0.46) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL10892507 0.86 HTR7 (0.49) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL11051618 0.86 POLB (0.48) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL15178919 0.86 RAB9A (0.43) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL11054158 0.85 MEN1 (0.54) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL11677076 0.84 RAB9A (0.51) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL11049544 0.84 MEN1 (0.47) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL11671141 0.84 RAB9A (0.46) RAB9APOLBNR4A1KMT2AALDH1A1
SCHEMBL5281037 0.83 RAB9A (0.47) RAB9APOLBNR4A1KMT2AALDH1A1

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-4456551-A Azo dyes from 2-amino-5-alkylthio-1,3,4-thiadiazoles and N-acyloxyalkyl-m-acylamidoanilines EASTMAN KODAK COMPANY (US) 1984-06-26 US disclosed