SCHEMBL11598015

SCHEMBL11598015

N#CC(C#N)=C(C#N)N(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL15499521 0.89 NPSR1 (0.48) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL15494493 0.79 FAAH (0.42) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL11755376 0.75 ALDH1A1 (0.46) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL11862805 0.71 NPSR1 (0.56) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL28082270 0.71 NPSR1 (0.44) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL15494364 0.71 FAAH (0.47) ALDH1A1KMT2AL3MBTL1MAPTMEN1
SCHEMBL25137365 0.68 FAAH (0.44) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL2227808 0.68 NPSR1 (0.41) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL25137333 0.67 FAAH (0.43) NPSR1ALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL25137334 0.65 FAAH (0.41) NPSR1ALDH1A1KMT2AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4105446-A Organic photoconductive coating compositions containing tricyanovinyl compounds for electrophotography FUJI XEROX CO., LTD. (JP) 1978-08-08 — — US claimed
US-9104098-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140065531-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2014-03-06 — — US disclosed
EP-2703891-A1 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus Canon Kabushiki Kaisha (JP) 2014-03-05 — — EP disclosed
US-4105446-A Organic photoconductive coating compositions containing tricyanovinyl compounds for electrophotography FUJI XEROX CO., LTD. (JP) 1978-08-08 — — US disclosed
Send feedback