SCHEMBL9566633

SCHEMBL9566633

Nc1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.73
ESR2 Q92731 3/20 0.73
NPC1 O15118 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TSHR P16473 2/20 0.63
CASP1 P29466 2/20 0.63
RAB9A P51151 2/20 0.63
CASP7 P55210 1/20 0.63
HSD17B10 Q99714 1/20 0.63
NPSR1 Q6W5P4 2/20 0.58
STAT3 P40763 1/20 0.58
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 3/20 0.47
APAF1 O14727 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL9571698 0.95 ESR1 (0.71) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL9566650 0.85 CASP1 (0.83) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL8995319 0.83 CASP1 (0.86) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL4258975 0.83 ESR1 (0.80) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL5104501 0.82 ESR1 (0.72) ESR1ESR2NPC1ALDH1A1NPSR1
SCHEMBL15431051 0.82 NPC1 (0.67) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL19317172 0.80 ESR1 (0.69) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL9566639 0.79 NPC1 (0.63) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL9453286 0.79 ALDH1A1 (0.63) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL23415179 0.79 ESR1 (0.67) ESR1ESR2NPC1ALDH1A1TSHR

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
EP-0530707-A1 Method for preparing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP claimed