SCHEMBL11524531

SCHEMBL11524531

CCC(=O)Nc1cccc(N(CC)CC(O)CCl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL11525828 0.91 RAB9A (0.46) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11525196 0.89 TSHR (0.46) RAB9APOLBNR4A1KMT2AMEN1
SCHEMBL11567148 0.85 KCNK3 (0.49) RAB9APOLBKMT2AMEN1LMNA
SCHEMBL30400187 0.84 RAB9A (0.61) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL9408526 0.84 RAB9A (0.61) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11526086 0.81 KDM4E (0.47) GAAALDH1A1MAPK1KDM4EF2R
SCHEMBL11524191 0.80 KDM4E (0.46) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL11194397 0.79 ALDH1A1 (0.51) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11523483 0.78 POLB (0.54) RAB9APOLBNR4A1GAAKMT2A
SCHEMBL11527179 0.78 HSD17B10 (0.45) RAB9APOLBNR4A1KMT2AMEN1

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-4139528-A Water-insoluble monoazo dyestuffs which is a diazotized 6-cyano-2:4-dinitroaniline coupled to a m-acylamino-substituted aniline IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-13 — — US disclosed
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