SCHEMBL6548882

SCHEMBL6548882

OC(=S)/C=C/c1ccc(CCCl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
MET P08581 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPT P10636 1/20 0.38
NLRP3 Q96P20 1/20 0.38
HDAC8 Q9BY41 3/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
AKR1B10 O60218 2/20 0.36
AKR1B1 P15121 2/20 0.36
MMP1 P03956 2/20 0.36

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
SCHEMBL6548879 1.00 CA12 (0.38) CA12CA1METCA4CA6
SCHEMBL6547408 0.83 CYP4F2 (0.45) CA12CA1METCA4CA6
SCHEMBL6547403 0.83 CYP4F2 (0.45) CA12CA1METCA4CA6
SCHEMBL9788955 0.79 ALDH1A1 (0.47) CA1GRIN1GRIN2BCYP3A4CYP2D6
SCHEMBL11378279 0.77 ALDH1A1 (0.44) CA12CA1METCA4CA6
SCHEMBL11378278 0.77 ALDH1A1 (0.44) CA12CA1METCA4CA6
SCHEMBL6548874 0.76 CA12 (0.44) CA12CA1METCA4CA6
SCHEMBL10968639 0.74 ALDH1A1 (0.40) MAPTHDAC8AKR1B1MMP2TBXAS1
SCHEMBL1431816 0.71 TYR (0.61) CA12CA1CA4CA6CA5A
SCHEMBL1431813 0.71 TYR (0.61) CA12CA1CA4CA6CA5A

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-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
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
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