SCHEMBL7599567

SCHEMBL7599567

C=Cc1ccc(C(=O)Nc2c(C)cccc2S(=O)(=O)c2cccc(C)c2NC(=O)c2ccc(C=C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
S1PR4 O95977 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
HTT P42858 2/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
NAMPT P43490 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7598279 0.85 HDAC2 (0.39) TAS1R3TAS1R1HDAC2POLBKMT2A
SCHEMBL7602524 0.84 MEN1 (0.49) TAS1R3TAS1R1HDAC2L3MBTL1KMT2A
SCHEMBL7600512 0.84 PDE4D (0.40) TAS1R3TAS1R1KMT2ALMNAHPGD
SCHEMBL7600479 0.81 HPGD (0.41) KDM4EHDAC2L3MBTL1POLBKMT2A
SCHEMBL7603054 0.78 KDM4E (0.40) KDM4EHTTL3MBTL1POLBKMT2A
SCHEMBL7598925 0.78 CA1 (0.51) TAS1R3TAS1R1HDAC2L3MBTL1POLB
SCHEMBL3282351 0.74 HDAC2 (0.45) TAS1R3TAS1R1HDAC2POLBKMT2A
SCHEMBL5031604 0.74 POLB (0.50) KDM4ETAS1R3TAS1R1HTTHDAC2
SCHEMBL12669228 0.71 CA1 (0.50) TAS1R3TAS1R1HDAC2L3MBTL1POLB
SCHEMBL2307872 0.70 S1PR4 (0.56) KDM4ES1PR4HTTHDAC2L3MBTL1

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