SCHEMBL7599349

SCHEMBL7599349

C=Cc1ccc(CC(=O)Nc2c(OC)cccc2S(=O)(=O)c2cccc(OC)c2NC(=O)Cc2ccc(C=C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NLRP3 Q96P20 1/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SNCA P37840 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7600479 0.85 HPGD (0.41) KMT2AMEN1SMN1; SMN2NLRP3LMNA
SCHEMBL7599556 0.84 NLRP3 (0.39) KMT2AMEN1SMN1; SMN2NLRP3NPC1
SCHEMBL7600512 0.82 PDE4D (0.40) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL7599502 0.82 KMT2A (0.41) KMT2AMEN1NLRP3LMNAALDH1A1
SCHEMBL7602609 0.78 HPGD (0.46) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL7597392 0.69 MEN1 (0.45) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL7599022 0.69 GAA (0.56) KMT2AMEN1USP2ALDH1A1L3MBTL1
SCHEMBL7602530 0.69 GAA (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7602615 0.69 PRMT1 (0.67) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL26163119 0.68 EGFR (0.43)

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