SCHEMBL9453288

SCHEMBL9453288

O=C1c2ccc(I)cc2C(=O)N1c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.63
ESR2 Q92731 2/20 0.63
STAT3 P40763 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
RAB9A P51151 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FAAH O00519 2/20 0.44
MGLL Q99685 2/20 0.44
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
PTGES O14684 1/20 0.42
POLB P06746 2/20 0.41
CA2 P00918 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL9571675 0.91 ESR1 (0.58) ESR1ESR2NPSR1NPC1ALDH1A1
SCHEMBL9453222 0.89 ESR1 (0.56) ESR1ESR2NPSR1NPC1ALDH1A1
SCHEMBL9566639 0.83 NPC1 (0.63) ESR1ESR2NPSR1NPC1ALDH1A1
SCHEMBL8910341 0.82 ESR1 (0.64) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL9453234 0.82 MGLL (0.51) ESR1ESR2STAT3NPSR1NPC1
SCHEMBL9450412 0.81 MEN1 (0.56) ESR1ESR2NPC1ALDH1A1TSHR
SCHEMBL9571706 0.81 CASP1 (0.71) ESR1ESR2NPSR1NPC1ALDH1A1
SCHEMBL9453343 0.80 BRD4 (0.55) ESR1ESR2NPSR1NPC1ALDH1A1
SCHEMBL9453229 0.79 ESR1 (0.63) ESR1ESR2STAT3NPSR1NPC1
SCHEMBL9571688 0.79 ESR1 (0.57) ESR1ESR2NPC1ALDH1A1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266678-A Heck carbonylation reaction, carbon monoxide EASTMAN KODAK COMPANY (US) 1993-11-30 US claimed
EP-0530707-A1 Method for preparing polyamide-imides EASTMAN KODAK COMPANY (US) 1993-03-10 EP claimed
EP-0530704-A1 A 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