SCHEMBL10263378

SCHEMBL10263378

Cc1ccc([S+](c2ccc(C)cc2)c2ccc(COCCCCN(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LYPLA1 O75608 1/20 0.37
▸ LYPLA2 O95372 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ AGXT P21549 2/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ GBA2 Q9HCG7 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AQP3 Q92482 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL14679152 0.86 HRH3 (0.47) KCNH2KDM4EALDH1A1LYPLA1LYPLA2
SCHEMBL10188291 0.84 LYPLA1 (0.47) LYPLA1LYPLA2HRH3L3MBTL1TDP1
SCHEMBL13102975 0.79 LYPLA1 (0.49) KCNH2KDM4ELYPLA1LYPLA2HRH3
SCHEMBL7604510 0.72 AGXT (0.47) KCNH2ALDH1A1CYP2C19AGXTGBA1
SCHEMBL17914305 0.72 KCNH2 (0.58) KCNH2CYP1A2AGXTGBA1UGCG
SCHEMBL19837688 0.72 AGXT (0.47) KCNH2AGXTGBA1UGCGGBA2
SCHEMBL9670428 0.71 LYPLA1 (0.54) KCNH2ALDH1A1LYPLA1LYPLA2HRH3
SCHEMBL12270447 0.71 AGXT (0.58) KCNH2CYP1A2AGXTTDP1CA2
SCHEMBL9278188 0.71 GBA1 (0.47) KCNH2AGXTGBA1UGCGGBA2
SCHEMBL21633713 0.71 AGXT (0.45) KCNH2AGXTGBA1UGCGGBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120164574-A1 ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, AND ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE FILM AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 — — US disclosed
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