SCHEMBL7539869

SCHEMBL7539869

NCc1ccccc1C(c1ccccc1CN)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
PNMT P11086 3/20 0.41
MAOB P27338 3/20 0.40
DPP4 P27487 2/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32

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
SCHEMBL27969130 0.88 DPP4 (0.38) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL28813881 0.84 MAOB (0.47) IDO1PNMTMAOBTAAR1LOXL2
SCHEMBL2095080 0.83 IDO1 (0.42) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL43013 0.82 IDO1 (0.61) IDO1PNMTMAOBDPP4ALDH1A1
Methane SCHEMBL27580279 0.80 IDO1 (0.59) IDO1PNMTMAOBDPP4ALDH1A1
Hydrochloric Acid SCHEMBL6169962 0.80 IDO1 (0.62) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL27969252 0.80 KIF11 (0.42) IDO1PNMTMAOBTAAR1
SCHEMBL27969090 0.80 KIF11 (0.42) IDO1PNMTMAOBTAAR1HTR2C
SCHEMBL6319928 0.79 IDO1 (0.40) IDO1PNMTMAOBDPP4ALDH1A1
SCHEMBL26748088 0.78 IDO1 (0.42) IDO1PNMTMAOBDPP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725284-B1 Ocular lens material MENICON CO LTD (JP) 2002-05-22 EP disclosed
EP-0634673-B1 Ocular lens material MENICON CO LTD (JP) 1999-10-20 EP disclosed
US-5605942-A POLYIMIDE HAVING EXCELLENT TRANSPARENCY, OXYGEN PERMEABILITY, HEAT RESISTANCE, ULTRAVIOLET LIGHT ABSORPTION MENICON CO., LTD. (JP) 1997-02-25 US disclosed
EP-0725284-A2 Ocular lens material Menicon Co., Ltd. (JP) 1996-08-07 EP disclosed
US-5543442-A POLYIMIDESILOXANE COPOLYMER MENICON CO., LTD. (JP) 1996-08-06 US disclosed
EP-0634673-A1 Ocular lens material Menicon Co., Ltd. (JP) 1995-01-18 EP disclosed