SCHEMBL7599796

SCHEMBL7599796

C=Cc1ccc(C(=O)Nc2c(Cl)cccc2Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(Cl)c4NC(=O)c4ccc(C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.41
TYK2 P29597 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MAPK14 Q16539 1/20 0.38
PRMT1 Q99873 2/20 0.37
PNLIP P16233 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 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
SCHEMBL7599617 0.88 KMT2A (0.39) MEN1KMT2ALMNAHPGDPRMT1
SCHEMBL7603054 0.87 KDM4E (0.40) MEN1KMT2ALMNAHPGDMAPK14
SCHEMBL7598425 0.87 KMT2A (0.45) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL7602849 0.82 CNR1 (0.50) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL7602524 0.78 MEN1 (0.49) TLR7MEN1KMT2ALMNATYK2
SCHEMBL7600768 0.73 F10 (0.48) LMNASMN1; SMN2MAPT
SCHEMBL7603821 0.73 MAPT (0.53) MEN1KMT2ASMN1; SMN2PRMT1MAPT
SCHEMBL7599792 0.73 SMN1; SMN2 (0.45) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7600512 0.71 PDE4D (0.40) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL7602530 0.69 GAA (0.59) MEN1KMT2ASMN1; SMN2PRMT1MAPK1

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