SCHEMBL9468786

SCHEMBL9468786

Cc1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1N1C(=O)c2ccc(N)cc2C1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.78
▸ MEN1 O00255 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ CASP1 P29466 3/20 0.78
▸ NPC1 O15118 2/20 0.78
▸ TSHR P16473 2/20 0.78
▸ RAB9A P51151 2/20 0.78
▸ NPSR1 Q6W5P4 2/20 0.78
▸ MAPK1 P28482 1/20 0.78
▸ CASP7 P55210 1/20 0.69
▸ HSD17B10 Q99714 1/20 0.69
▸ ANPEP P15144 2/20 0.57
▸ DPP4 P27487 1/20 0.57
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43

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
SCHEMBL6578707 0.88 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL11721611 0.83 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL4781427 0.82 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL8995319 0.82 CASP1 (0.86) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL10658930 0.81 ANPEP (0.69) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL18806460 0.81 CYP3A4 (0.61) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL11726162 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL11615649 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL9566650 0.80 CASP1 (0.83) ALDH1A1MEN1KMT2ACASP1NPC1
SCHEMBL10691705 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACASP1NPC1

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-5212277-A Engineering plastics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-05-18 — — US disclosed
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