SCHEMBL9621872

SCHEMBL9621872

Oc1ccc(S)c2cc3ccccc3cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
CYP1A2 P05177 3/20 0.43
ALOX5 P09917 2/20 0.41
PTPN22 Q9Y2R2 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
NQO2 P16083 1/20 0.39
ERN1 O75460 1/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.36
PAK1 Q13153 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 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
SCHEMBL392914 0.86 IDO1 (0.58) IDO1CYP1A2ALOX5PTPN22TRPM4
SCHEMBL28634296 0.86 IDO1 (0.58) IDO1CYP1A2ALOX5PTPN22TRPM4
SCHEMBL29681720 0.86 IDO1 (0.58) IDO1CYP1A2ALOX5PTPN22TRPM4
SCHEMBL28611087 0.81 IDO1 (0.52) IDO1CYP1A2ALOX5PTPN22TRPM4
SCHEMBL9353874 0.77 CYP1A2 (0.58) IDO1CYP1A2ALOX5TRPM4NQO2
SCHEMBL5433816 0.77 IDO1 (0.68) IDO1CYP1A2PTPN22TRPM4HSD17B10
SCHEMBL11053400 0.74 KMT2A (0.46) IDO1CYP1A2ALOX5PTPN22TRPM4
SCHEMBL17846912 0.74 IDO1 (0.61) IDO1CYP1A2ALOX5PTPN22TRPM4
Benzoquinone SCHEMBL28173741 0.74 IDO1 (0.44) IDO1CYP1A2ALOX5PTPN22TRPM4
SCHEMBL28118837 0.74 POLB (0.47) IDO1CYP1A2ALOX5PTPN22TRPM4

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
US-5128429-A Low temperature block polymerization without randomization RAYCHEM LIMITED (GB) 1992-07-07 US disclosed
EP-0154506-B1 PREPARATION OF ORGANIC POLYMERS RAYCHEM LIMITED (GB) 1992-02-05 EP disclosed
US-4999411-A Polythioethers, polythiocarbonates, polythioamides, polythioimides RAYCHEM LIMITED (GB) 1991-03-12 US disclosed
US-4960835-A ENGINEERING THERMOPLASTICS RAYCHEM LIMITED (GB) 1990-10-02 US disclosed
US-4845179-A CONDENSATION POLYMERIZATION RAYCHEM LIMITED (GB) 1989-07-04 US disclosed
EP-0154506-A2 Preparation of organic polymers RAYCHEM LIMITED (GB) 1985-09-11 EP disclosed