SCHEMBL8019505

SCHEMBL8019505

COc1ccc(-n2ncc3c2-c2ccccc2C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.58
USP7 Q93009 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
HTT P42858 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43

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
SCHEMBL8019722 0.84 HIF1A (0.50) HIF1AUSP7NPC1RAB9APKM
SCHEMBL8924222 0.76 MAPT (0.47) NPC1RAB9AALDH1A1LMNAHTR2C
SCHEMBL7696846 0.76 HIF1A (0.40) HIF1AUSP7NPC1RAB9ACA12
SCHEMBL23400045 0.71 HIF1A (0.56) HIF1ANPC1RAB9APKMHTT
SCHEMBL8765117 0.71 ALDH1A1 (0.64) HIF1ANPC1RAB9AHTTALDH1A1
SCHEMBL19582587 0.71 HIF1A (0.47) HIF1ANPC1RAB9APKMALDH1A1
SCHEMBL1874877 0.69 PDE4A (0.51) HIF1ANPC1RAB9APKMCA9
SCHEMBL4809703 0.69 MAOA (0.42) NPC1RAB9APKMALDH1A1LMNA
SCHEMBL31276354 0.69 NPBWR1 (0.56) HIF1ANPC1RAB9AHTTALDH1A1
SCHEMBL23398941 0.69 HTT (0.54) HIF1ANPC1RAB9APKMHTT

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-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed