SCHEMBL6549672

SCHEMBL6549672

O=C(S)c1ccc(CCCl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 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
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
PLK1 P53350 2/20 0.37
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10594828 0.82 CNR2 (0.46) CA1CA2THRBTHRAPLK1
SCHEMBL632555 0.80 ALDH1A1 (0.56) CA1CA2CA12CA3CA4
SCHEMBL3962189 0.80 CA1 (0.43) CA1CA2THRBTHRAPLK1
SCHEMBL6548518 0.80 CYP4A11 (0.52) CA1CA2CA12CA3CA4
SCHEMBL5648580 0.78 PLA2G10 (0.53) CA1CA2ALDH1A1GAAPOLB
SCHEMBL6547320 0.78 TDP1 (0.44) CA1CA2CA12CA3CA4
SCHEMBL2658380 0.78 KMT2A (0.61) CA1CA2THRBTHRAGAA
SCHEMBL1178638 0.75 CA1 (0.71) CA1CA2CA12CA3CA4
SCHEMBL9860834 0.75 GFER (0.42) CA2ALDH1A1GAAKDM4EKMT2A
SCHEMBL10886969 0.75 RARB (0.62) THRBTHRAPLK1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100778-B1 OXIDISED SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2004-12-01 EP disclosed
EP-1100777-B1 SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-28 EP disclosed
EP-1100778-A1 OXIDISED SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-05-23 EP disclosed
EP-1100777-A1 SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 2001-05-23 EP disclosed
WO-2000006542-A1 OXIDISED SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-02-10 WO disclosed
WO-2000006541-A1 SULFURATED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2000-02-10 WO disclosed