SCHEMBL7599804

SCHEMBL7599804

C=Cc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3C=C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.59
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
ATM Q13315 1/20 0.50
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALB P02768 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL7598284 0.80 GAA (0.50) CA12CA1CA2CA9ATM
SCHEMBL7599801 0.78 CA1 (0.43) CA12CA1CA2CA9MMP1
SCHEMBL7598919 0.76 PRMT1 (0.56) PRMT1CA12CA1CA2CA9
SCHEMBL7602615 0.75 PRMT1 (0.67) PRMT1CA12CA1CA2CA9
SCHEMBL7597396 0.74 PRMT1 (0.64) PRMT1CA12CA1CA2CA9
SCHEMBL7597944 0.73 GAA (0.47) ATMKMT2AGAAMEN1ALDH1A1
SCHEMBL11156936 0.72 CA2 (0.50) CA12CA1CA2CA9KMT2A
SCHEMBL10919761 0.71 KCNJ5 (0.67) PRMT1CA12CA1CA2CA9
SCHEMBL6001655 0.70 CA1 (0.57) PRMT1CA12CA1CA2CA9
SCHEMBL4443824 0.70 ALDH1A1 (0.40) KMT2ACYP2C19MEN1ALDH1A1

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