SCHEMBL9246701

SCHEMBL9246701

Cc1ccc(S(N)(=O)=O)c(CCCc2c(S(N)(=O)=O)ccc(C)c2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
PTGES2 Q9H7Z7 5/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 0.33

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
SCHEMBL28182063 0.80 CA2 (0.45) PDIA6TAAR1ALDH1A1KDM4EMEN1
SCHEMBL23300824 0.79 CA2 (0.48) PDIA6ALDH1A1KDM4EPTGES2CA12
SCHEMBL20478175 0.79 PDIA6 (0.40) PDIA6TAAR1ALDH1A1KDM4EMEN1
SCHEMBL10431753 0.79 PDIA6 (0.43) PDIA6TAAR1ALDH1A1KDM4EMEN1
SCHEMBL28605818 0.78 CA2 (0.45) PDIA6ALDH1A1KDM4EMEN1POLB
SCHEMBL28906302 0.78 CA2 (0.45) PDIA6ALDH1A1KDM4EMEN1POLB
SCHEMBL28906315 0.78 CA2 (0.45) PDIA6ALDH1A1KDM4EMEN1POLB
SCHEMBL12497682 0.78 CA2 (0.45) PDIA6ALDH1A1KDM4EMEN1POLB
SCHEMBL1806651 0.77 KDM4E (0.41) PDIA6TAAR1ALDH1A1KDM4EMEN1
SCHEMBL8215092 0.77 CA2 (0.42) PDIA6TAAR1ALDH1A1KDM4EMEN1

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-0473673-A4 METHOD FOR PROTECTION FROM AZT SIDE EFFECTS AND TOXICITY US BIOSCIENCE (US) 1995-05-17 EP disclosed
EP-0473673-A1 METHOD FOR PROTECTION FROM AZT SIDE EFFECTS AND TOXICITY U.S. BIOSCIENCE (US) 1992-03-11 EP disclosed
WO-1990014007-A1 METHOD FOR PROTECTION FROM AZT SIDE EFFECTS AND TOXICITY U.S. BIOSCIENCE (US) 1990-11-29 WO disclosed