SCHEMBL19750375

SCHEMBL19750375

CC(C)C(=O)c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(N)cc3S(=O)(=O)O)c(S(=O)(=O)O)c1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CA9 Q16790 8/20 0.44
▸ CA1 P00915 6/20 0.44
▸ CA2 P00918 6/20 0.44
▸ CA4 P22748 4/20 0.44
▸ CA12 O43570 3/20 0.40
▸ ANPEP P15144 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10691705 0.77 ALDH1A1 (0.68) ALDH1A1NPC1RAB9ANPSR1TSHR
SCHEMBL13283627 0.72 CA9 (0.51) ALDH1A1NPC1RAB9ANPSR1MEN1
SCHEMBL19491776 0.72 CASP6 (0.46) ALDH1A1NPC1RAB9ANPSR1MEN1
SCHEMBL19750415 0.70 MEN1 (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15695620 0.70 CA9 (0.47) ALDH1A1RAB9ANPSR1MEN1KMT2A
SCHEMBL21892240 0.69 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ANPSR1TSHR
SCHEMBL229927 0.69 RAPGEF4 (0.55) ALDH1A1NPC1RAB9ANPSR1TSHR
SCHEMBL20161723 0.69 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ANPSR1TSHR
SCHEMBL8310927 0.69 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ANPSR1TSHR
SCHEMBL18053139 0.69 POLB (0.45) ALDH1A1RAB9ANPSR1MEN1KMT2A

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-9852846-B2 Self-healing capacitor and methods of production thereof CAPACITOR SCIENCES INCORPORATED (US) 2017-12-26 — — US disclosed
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