SCHEMBL7597392

SCHEMBL7597392

C=Cc1cccc(CC(=O)Nc2ccccc2S(=O)(=O)c2ccccc2NC(=O)Cc2cccc(C=C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 4/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNQ2 O43526 4/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41
PRMT1 Q99873 1/20 0.40

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
SCHEMBL7602609 0.87 HPGD (0.46) MEN1KMT2AHPGDCA1CA2
SCHEMBL7599812 0.79 GAA (0.56) MEN1KMT2ACA1CA2CA5A
SCHEMBL7597396 0.79 PRMT1 (0.64) MEN1KMT2ACA1CA2CA5A
SCHEMBL7601893 0.78 GAA (0.55) CA1CA2CA5ACA7CA5B
SCHEMBL7598988 0.78 MEN1 (0.46) MEN1KMT2AHPGDCA1CA2
SCHEMBL7599801 0.75 CA1 (0.43) MEN1KMT2AHPGDCA1CA2
SCHEMBL7599556 0.73 NLRP3 (0.39) MEN1KMT2ACA1CA2CA5A
SCHEMBL22503302 0.72 EGFR (0.41) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL7599502 0.72 KMT2A (0.41) MEN1KMT2ACA1CA2CA5A
SCHEMBL7600479 0.72 HPGD (0.41) MEN1KMT2AHPGDCYP1A2MAPT

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