SCHEMBL3901936

SCHEMBL3901936

c1coc(-c2ccsc2-c2ncco2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
BRD4 O60885 1/20 0.37
HPGDS O60760 1/20 0.36
LTA4H P09960 1/20 0.35
CES1 P23141 1/20 0.34
PIN1 Q13526 1/20 0.34
ADRA1A P35348 5/20 0.32
ADRA1D P25100 3/20 0.32
ADRA2A P08913 2/20 0.32
ADRA1B P35368 1/20 0.32
MAPK14 Q16539 1/20 0.32
EDNRA P25101 1/20 0.30

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
Tert-Butylbenzene SCHEMBL28233011 0.84 BRD4 (0.37) MAPK8MAPK9MAPK10BRD4HPGDS
SCHEMBL3709517 0.79 MAPK8 (0.40) MAPK8MAPK9MAPK10BRD4HPGDS
SCHEMBL3719366 0.73 MAPK8 (0.41) MAPK8MAPK9MAPK10LTA4H
SCHEMBL1919495 0.70 HPGDS (0.52) BRD4HPGDSLTA4HPIN1ADRA1A
SCHEMBL1559450 0.69 PDPK1 (0.42) MAPK8MAPK9MAPK10HPGDSLTA4H
SCHEMBL12293611 0.69 EDNRA (0.41) MAPK8MAPK9MAPK10PIN1EDNRA
SCHEMBL100765 0.68 HPGDS (0.46) BRD4HPGDSLTA4HPIN1ADRA1A
SCHEMBL28928822 0.68 SMN1; SMN2 (0.42) BRD4HPGDSLTA4HADRA1AADRA1D
SCHEMBL11363800 0.67 BRD4 (0.57) BRD4HPGDSLTA4HPIN1ADRA1A
SCHEMBL26259967 0.67 BRD4 (0.53) BRD4HPGDSLTA4HPIN1ADRA1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58025361-A None JP disclosed
US-7615266-B2 Ink jet recording material EIKO EPSON CORPORATION (JP) 2009-11-10 US disclosed
EP-1705028-B1 Ink jet recording material SEIKO EPSON CORP (JP) 2008-05-21 EP disclosed
US-20060216443-A1 Including fumed silica and layer including colloidal silica, and backcoat layer of polyurethane resin SEIKO EPSON CORPORATION 2006-09-28 US disclosed
EP-1705028-A1 Ink jet recording material SEIKO EPSON CORPORATION (JP) 2006-09-27 EP disclosed
JP-S5825361-A FLUORESCENT BRIGHTENER COMPOSITION NIPPON KAYAKU CO LTD 1983-02-15 JP disclosed