SCHEMBL13604241

SCHEMBL13604241

C=C(C)C(=O)OCCNC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)NCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.48
CYP2C9 P11712 1/20 0.45
ATM Q13315 1/20 0.44
PRMT1 Q99873 1/20 0.44
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL3256209 0.91 CA2 (0.42) NAMPTCA12CA1CA2CA9
SCHEMBL21950062 0.91 NAMPT (0.46) NAMPTCA12CA1CA2CA9
SCHEMBL1734745 0.90 CA2 (0.56) NAMPTCA12CA1CA2CA9
SCHEMBL30788323 0.90 CA2 (0.41) NAMPTCA12CA1CA2CA9
SCHEMBL10093564 0.87 CNR1 (0.49) PKM
SCHEMBL3246106 0.85 GAA (0.54) CYP2C9PKMCA12CA1CA2
SCHEMBL1735929 0.85 CNR1 (0.44) NAMPTPKMCA12CA1CA2
SCHEMBL23848315 0.84 MTNR1B (0.45) NAMPTPKMCA12CA1CA2
SCHEMBL31151992 0.84 CNR1 (0.43) NAMPTPKMCA12CA1CA2
SCHEMBL10060673 0.84 CNR1 (0.43) NAMPTCYP2C9PKM

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-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed