SCHEMBL7029428

SCHEMBL7029428

CC(C)(O)NCc1cccc(CN)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.46
NOS1 P29475 5/20 0.45
NOS2 P35228 5/20 0.45
NOS3 P29474 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 2/20 0.45
NFKB1 P19838 2/20 0.45
LOXL2 Q9Y4K0 3/20 0.44
PNMT P11086 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL21799477 0.85 PNMT (0.44) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL21799817 0.81 NOS1 (0.40) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL21799655 0.81 NOS1 (0.40) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL21799850 0.79 NOS1 (0.39) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL21799749 0.78 NOS1 (0.38) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL5431000 0.77 IDO1 (0.50) ALDH1A1SMN1; SMN2CYP3A4CYP2D6RAB9A
SCHEMBL21799902 0.75 PNMT (0.41) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL3363042 0.75 NOS1 (0.53) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL30125422 0.75 NOS1 (0.53) ENPP2NOS1NOS2NOS3ALDH1A1
SCHEMBL30186883 0.74 LOXL2 (0.52) ENPP2NOS1NOS2NOS3ALDH1A1

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
EP-0845708-B1 PLATE FOR WATERLESS LITHOGRAPHY TORAY INDUSTRIES (JP) 2003-02-12 EP disclosed
US-6106997-A PRINTING DURABILITY, IMAGE REPRODUCIBILITY AND STORAGE STABILITY TORAY INDUSTRIES, INC. (JP) 2000-08-22 US disclosed
US-5811210-A PHOTOSENSITIVE LAYER AND SILICONE RUBBER LAYER LAMINATED IN ORDER ONTO A SUBSTRATE; PEEL BONDING STRENGTH AND ELASTIC MODULUS; FOR WEB OFFSET AND NEWSPAPER OFFSET PRINTING DURABILITY TORAY INDUSTRIES, INC. (JP) 1998-09-22 US disclosed
EP-0845708-A1 PLATE FOR WATERLESS LITHOGRAPHY TORAY INDUSTRIES, INC. (JP) 1998-06-03 EP disclosed
EP-0672950-A1 WATERLESS LITHOGRAPHIC PLATE TORAY INDUSTRIES, INC. (JP) 1995-09-20 EP disclosed