SCHEMBL20161723

SCHEMBL20161723

CC(C)(C)C(=O)c1ccc2c(c1)C(=O)N(c1ccc3cc(N)ccc3c1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CA9 Q16790 6/20 0.46
▸ CA1 P00915 5/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA2 P00918 3/20 0.43
▸ CA4 P22748 3/20 0.43
▸ S100B P04271 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GFER P55789 1/20 0.40
▸ ANPEP P15144 1/20 0.39

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
SCHEMBL21892240 0.86 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL28413439 0.74 NPSR1 (0.69) ALDH1A1RAB9AMEN1KMT2ANPSR1
SCHEMBL8310927 0.73 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4235314 0.72 CA9 (0.68) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL28410207 0.70 NPSR1 (0.63) ALDH1A1MEN1KMT2ANPSR1HSD17B10
SCHEMBL8995319 0.70 CASP1 (0.86) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23917902 0.69 ALDH1A1 (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL23917893 0.69 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL19750375 0.69 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL9566650 0.69 CASP1 (0.83) ALDH1A1NPC1RAB9AMEN1KMT2A

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-20180134847-A1 POLYMERS AND RESIN COMPOSITION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-05-17 — — US disclosed
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