SCHEMBL12556936

SCHEMBL12556936

O=C(NC(=O)c1cc2ccccc2c(N=Nc2ccc(-c3nnc(-c4ccc(N=Nc5c(O)c(NO/C=N/OCc6ccccc6Cl)cc6ccccc56)cc4)o3)cc2)c1O)Nc1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 5/20 0.34
▸ MGAM O43451 4/20 0.34
▸ SI P14410 4/20 0.34
▸ MGAM2 Q2M2H8 4/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL15233135 0.87 NQO2 (0.35) KDM4EALDH1A1CYP1A2NQO2MEN1
SCHEMBL19827077 0.85 KDM4E (0.46) KDM4EALDH1A1CYP1A2HTTGAA
SCHEMBL15233521 0.82 KDM4E (0.41) KDM4EALDH1A1CYP1A2HTTGAA
SCHEMBL10413849 0.79 NQO2 (0.49) KDM4EALDH1A1CYP1A2HTTGAA
SCHEMBL13586835 0.77 NQO2 (0.53) KDM4EALDH1A1CYP1A2NQO2MEN1
SCHEMBL13582966 0.71 NQO2 (0.45) KDM4EALDH1A1CYP1A2NQO2MEN1
SCHEMBL14585775 0.71 NQO2 (0.54) KDM4EALDH1A1HTTNQO2MEN1
SCHEMBL11913373 0.70 NQO2 (0.66) KDM4EALDH1A1HTTNQO2MEN1
SCHEMBL4747979 0.69 MAPT (0.50) KDM4EALDH1A1NQO2MEN1KMT2A
SCHEMBL4747982 0.69 MAPT (0.50) KDM4EALDH1A1NQO2MEN1KMT2A

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-8632931-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2014-01-21 — — US disclosed
US-8524429-B2 — — 2013-09-03 — — US disclosed
US-20110143273-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-06-16 — — US disclosed
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