SCHEMBL4782142

SCHEMBL4782142

Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
TSHR P16473 3/20 0.72
CASP1 P29466 2/20 0.72
CASP7 P55210 1/20 0.72
HSD17B10 Q99714 1/20 0.72
ESR1 P03372 3/20 0.64
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
ANPEP P15144 2/20 0.58
DPP4 P27487 1/20 0.58
HSPA1A P0DMV8 1/20 0.54
PABPC1 P11940 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
USP2 O75604 2/20 0.53
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53

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
SCHEMBL8995319 0.90 CASP1 (0.86) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL9468849 0.89 NPC1 (0.67) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL9566650 0.89 CASP1 (0.83) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL9566664 0.87 NPC1 (0.65) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL10240992 0.86 MEN1 (0.67) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL4781427 0.84 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL8995310 0.83 CYP3A4 (0.62) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL6581387 0.83 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL15347082 0.82 BRD4 (0.58) ALDH1A1NPC1RAB9ATSHRCASP1
SCHEMBL6578947 0.82 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ATSHRCASP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002558-A1 REACTIVE POLYAMIDEIMIDE OLIGOMERS, METHODS, AND ARTICLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-01-05 US disclosed
US-7455949-B2 Polymer for heat-sensitive lithographic printing plate precursor AGFA GRAPHICS, N.V. (BE) 2008-11-25 US disclosed
US-7455949-B2 Polymer for heat-sensitive lithographic printing plate precursor AGFA GRAPHICS, N.V. (BE) 2008-11-25 US disclosed
EP-1554324-B1 POLYMER FOR HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-05-28 EP disclosed
WO-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed
WO-2008029168-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed
US-5212277-A Engineering plastics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-05-18 US disclosed
US-3953420-A Azo pigments derived from 2-hydroxy-3-carboxynaphthalene containing a substituted or unsubstituted phthalimide BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-04-27 US disclosed