SCHEMBL6602591

SCHEMBL6602591

CNC(CNC(N)=S)NC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 2/20 0.30
PTGS2 P35354 1/20 0.30
HPGD P15428 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
SCHEMBL6602887 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL1746604 0.74
SCHEMBL28719103 0.69
SCHEMBL7450284 0.68 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL27540587 0.68
SCHEMBL28758439 0.65 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL11422280 0.65
SCHEMBL1776008 0.64 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10PTGS2HPGD
SCHEMBL15539 0.64
SCHEMBL10907875 0.63

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
EP-1062212-B1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA ITALIA SPA (IT) 2004-05-12 EP disclosed
US-6316451-B1 AMYLOIDOSIS PHARMACIA & UPJOHN S.P.A. (IT) 2001-11-13 US disclosed
EP-1062212-A1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-12-27 EP disclosed
WO-1999046253-A1 HETEROCYCLYL ANTHRACYCLINONE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1999-09-16 WO disclosed