SCHEMBL7597396

SCHEMBL7597396

C=Cc1cccc(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(NC(=O)Cc4cccc(C=C)c4)cc3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.64
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL7602615 0.84 PRMT1 (0.67) PRMT1CA12CA1CA2CA5A
SCHEMBL7599812 0.80 GAA (0.56) PRMT1CA1CA2CA5ACA7
SCHEMBL7597392 0.79 MEN1 (0.45) PRMT1CA1CA2CA5ACA7
SCHEMBL10992745 0.77 MEN1 (0.66) PRMT1CA12CA1CA2CA5A
SCHEMBL7601893 0.75 GAA (0.55) CA1CA2CA5ACA7CA5B
SCHEMBL7599804 0.74 PRMT1 (0.59) PRMT1CA12CA1CA2CA5A
SCHEMBL22503302 0.73 EGFR (0.41) MEN1KMT2APOLBMAPTFAAH
SCHEMBL6001084 0.72 PRMT1 (0.57) PRMT1CA12CA1CA2CA5A
SCHEMBL15653465 0.72 GAA (0.60) CA12CA1CA2CA9MEN1
SCHEMBL10914448 0.71 MEN1 (0.58) CA12CA1CA2CA9MEN1

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