SCHEMBL7607384

SCHEMBL7607384

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CYP2C19 P33261 1/20 0.57
MAPT P10636 2/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 4/20 0.53
PRMT1 Q99873 3/20 0.51
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL7603741 0.91 PKM (0.50) PKMRXFP1CYP2C19MAPTATM
SCHEMBL21086837 0.87 TGM2 (0.60) RXFP1CA1CA2CA12CA9
SCHEMBL691748 0.87 RXFP1 (0.57) PKMRXFP1CYP2C19MAPTATM
SCHEMBL439393 0.86 RXFP1 (0.74) RXFP1CYP2C19MAPTALDH1A1KMT2A
SCHEMBL3463275 0.86 RXFP1 (0.56) PKMRXFP1CYP2C19MAPTATM
SCHEMBL5680999 0.86 RXFP1 (0.56) PKMRXFP1CYP2C19MAPTATM
SCHEMBL202716 0.86 CA1 (0.69) RXFP1KMT2ACA1CA2CA12
SCHEMBL3463278 0.86 RXFP1 (0.56) PKMRXFP1CYP2C19MAPTATM
SCHEMBL3193608 0.85 PKM (0.46) PKMRXFP1CYP2C19MAPTATM
SCHEMBL394378 0.84 RXFP1 (0.54) RXFP1ALDH1A1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913713-B1 Crosslinkable compound and an optical material employing it MENICON CO LTD (JP) 2002-12-18 EP disclosed
US-6015874-A CURING AGENT FOR HYDROPHILIC, TRANSPARENT, DURABLE POLYMERIC CONTACT OR INTRAOCULAR LENSES WHICH ALSO ABSORB ULTRA VIOLET RADIATION AND ARE OXYGEN PERMEABLE MENICON CO., LTD. (JP) 2000-01-18 US disclosed
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed