SCHEMBL7601061

SCHEMBL7601061

C=C(C)C(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(=C)C)c(C)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.43
RORC P51449 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL7597996 0.85 HTT (0.44) NPC1POLBLMNARORCPKM
SCHEMBL7598975 0.84 NPC1 (0.44) NPC1POLBLMNARAB9ARORC
SCHEMBL7600760 0.83 CA1 (0.56) NPC1POLBLMNACA1CA2
SCHEMBL7601359 0.81 POLB (0.50) POLBLMNAPKMHTTL3MBTL1
SCHEMBL5082956 0.80 KMT2A (0.61) NPC1LMNARAB9AHTTL3MBTL1
SCHEMBL14339910 0.76 RAB9A (0.51) NPC1LMNARAB9AHTTTDP1
SCHEMBL2767301 0.76 HTT (0.63) NPC1POLBLMNARAB9AHTT
SCHEMBL7607384 0.75 PKM (0.59) POLBLMNAPKML3MBTL1TDP1
SCHEMBL959541 0.74 NPC1 (0.77) NPC1POLBLMNARAB9AHTT
SCHEMBL7597622 0.74 POLB (0.41) NPC1POLBLMNARAB9APKM

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 2 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