SCHEMBL9713631

SCHEMBL9713631

COc1cc(OC(C)=O)c2c([S+]([O-])c3ccncn3)cccc2c1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.34
MCL1 Q07820 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 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
SCHEMBL9641986 0.86 NLRP3 (0.36) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9642631 0.83 NLRP3 (0.34) KDM4EMAPTATP4AATP4BCTSV
SCHEMBL9643011 0.81 NLRP3 (0.34) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9713743 0.80 MAPT (0.36) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9713909 0.80 HTT (0.40) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9643466 0.80 NLRP3 (0.32) NLRP3
SCHEMBL9641945 0.80 NLRP3 (0.32) NLRP3
SCHEMBL9642635 0.80 NLRP3 (0.32) NLRP3
SCHEMBL9713623 0.80 TUBB4A (0.37) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL9713741 0.79 ABCB11 (0.39) KDM4EALDH1A1GAAMAPTKMT2A

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
US-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed