SCHEMBL9566639

SCHEMBL9566639

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 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
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ESR1 P03372 4/20 0.50
ESR2 Q92731 2/20 0.50
CA1 P00915 6/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CA12 O43570 4/20 0.44
ANPEP P15144 2/20 0.44
DPP4 P27487 1/20 0.44
CYP3A4 P08684 1/20 0.41

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
SCHEMBL9571706 0.95 CASP1 (0.71) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL9566599 0.91 ALDH1A1 (0.54) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL9571675 0.91 ESR1 (0.58) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL9566662 0.90 CASP1 (0.73) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL9453222 0.89 ESR1 (0.56) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL9566650 0.85 CASP1 (0.83) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL8995319 0.83 CASP1 (0.86) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL9453288 0.83 ESR1 (0.63) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL8910341 0.82 ESR1 (0.64) NPC1ALDH1A1TSHRCASP1RAB9A
SCHEMBL15431051 0.82 NPC1 (0.67) NPC1ALDH1A1TSHRCASP1RAB9A

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 2 patents. 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
EP-0530707-A1 Method for preparing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP disclosed