SCHEMBL6548874

SCHEMBL6548874

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MET P08581 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
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 1/20 0.40
NLRP3 Q96P20 1/20 0.40
CYP1A2 P05177 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC2 Q92769 3/20 0.39
AKR1B10 O60218 3/20 0.39
AKR1B1 P15121 3/20 0.39
MAOB P27338 2/20 0.39
PTGS2 P35354 1/20 0.39
GLO1 Q04760 1/20 0.39

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
SCHEMBL6547399 0.84 CYP4F2 (0.51) CA12CA1METCA4CA6
SCHEMBL11378276 0.78 ALDH1A1 (0.47) CA12CA1METCA4CA6
SCHEMBL6548882 0.76 CA12 (0.38) CA12CA1METCA4CA6
SCHEMBL6548879 0.76 CA12 (0.38) CA12CA1METCA4CA6
SCHEMBL16015107 0.75 HDAC3 (0.41) CA12CA1METCA4CA6
SCHEMBL12824956 0.72 TYR (0.68) CA12CA1CA4CA6CA5A
SCHEMBL6549672 0.71 CA1 (0.44) CA12CA1CA4CA6CA5A
SCHEMBL13176452 0.71 MAPT (0.62) MAPTMAOBMMP1MMP2MMP9
SCHEMBL932809 0.70 MAPT (0.67) MAPTCYP1A2HDAC8HDAC2MAOB
SCHEMBL30393958 0.70 MAPT (0.67) MAPTCYP1A2HDAC8HDAC2MAOB

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 2 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