SCHEMBL8728939

SCHEMBL8728939

CNc1[c]cc(NC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
APP P05067 3/20 0.33
ALDH1A1 P00352 3/20 0.32
RECQL P46063 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
KIF11 P52732 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL21708159 0.75
SCHEMBL2994767 0.73
SCHEMBL193412 0.73
SCHEMBL23671896 0.73
SCHEMBL3888353 0.73
SCHEMBL2988463 0.69 KIF11 (0.44) TSHRALDH1A1KIF11
SCHEMBL28167940 0.69 ALDH1A1 (0.32) TSHRALDH1A1RECQLHSD17B10CA12
SCHEMBL153943 0.67 TSHR (0.67) TSHRAPPALDH1A1RECQLHSD17B10
SCHEMBL5672001 0.67 KMT2A (0.42) TSHRALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL2801770 0.65 TSHR (0.62) TSHRAPPALDH1A1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed