SCHEMBL16656182

SCHEMBL16656182

Cc1cccc2c1C(=O)c1c(-c3ccc(F)cc3)ccc(-c3ccc(F)cc3)c1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
PTGS1 P23219 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
HBB P68871 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ELANE P08246 3/20 0.40
CTSG P08311 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL12110431 0.84 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL16656211 0.81 MAOA (0.61) TSHRALDH1A1CYP3A4MAPK1SMN1; SMN2
SCHEMBL16656184 0.80 CA1 (0.44) PTGS2PTGS1TSHRNPC1ALDH1A1
SCHEMBL1688847 0.78 ALDH1A1 (0.55) TSHRNPC1ALDH1A1CYP3A4MAPK1
SCHEMBL1882224 0.77 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL12258322 0.76 ALDH1A1 (0.54) TSHRNPC1ALDH1A1CYP3A4MAPK1
SCHEMBL16601774 0.76 ADORA2A (0.42) PTGS2PTGS1TSHRALDH1A1MAPK1
SCHEMBL12114167 0.74 ELANE (0.50) PTGS2PTGS1TSHRNPC1ALDH1A1
SCHEMBL4161497 0.74 CA1 (0.52) TSHRNPC1ALDH1A1CYP3A4MAPK1
SCHEMBL29634210 0.74 CA1 (0.52) TSHRNPC1ALDH1A1CYP3A4MAPK1

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 2 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