SCHEMBL7600512

SCHEMBL7600512

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.40
F10 P00742 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL7599567 0.84 KDM4E (0.44) TAS1R3TAS1R1KMT2ANPC1TP53
SCHEMBL7599349 0.82 KMT2A (0.44) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7598279 0.82 HDAC2 (0.39) F10TAS1R3TAS1R1KMT2ANPC1
SCHEMBL7598425 0.82 KMT2A (0.45) F10ALDH1A1KMT2ANPC1TP53
SCHEMBL7602524 0.81 MEN1 (0.49) TAS1R3TAS1R1ALDH1A1KMT2ANPC1
SCHEMBL7598925 0.75 CA1 (0.51) F10TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL7603054 0.73 KDM4E (0.40) ALDH1A1KMT2ARAB9AMEN1MAPT
SCHEMBL28389521 0.73 KCNK3 (0.51) HSP90AA1HSP90AB1KMT2ANPC1RAB9A
SCHEMBL14539253 0.72 CA1 (0.49) F10TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL7600519 0.72 DRD2 (0.40) TAS1R3TAS1R1HSP90AA1DRD2DRD4

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