SCHEMBL16601705

SCHEMBL16601705

OCCc1ccc(N=C2c3ccccc3-c3ccc(-c4ccc(C(F)(F)F)cc4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAOB P27338 2/20 0.39
PDK2 Q15119 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
GALR3 O60755 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KIF11 P52732 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL16601746 0.81 ALDH1A1 (0.40) ALDH1A1MAOBPDK2FFAR1FFAR4
SCHEMBL16601704 0.81 LRRK2 (0.40) ALDH1A1CYP1A2CYP3A4
SCHEMBL2272957 0.75 MAOB (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16601689 0.71 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL833275 0.70 TAAR1 (0.61) MAOBFFAR1TAAR1
SCHEMBL2652456 0.70 AGXT (0.60) MAOBFFAR1KIF11AGXTTAAR1
SCHEMBL16601724 0.69 GALR3 (0.40) GALR3
SCHEMBL16656348 0.69 GALR3 (0.40) GALR3
SCHEMBL16601755 0.67 ALDH1A1 (0.68) ALDH1A1PDK2CYP1A2CYP3A4
SCHEMBL7983607 0.66 HTR3E (0.43) ALDH1A1GALR3KIF11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed