SCHEMBL8096121

SCHEMBL8096121

N#Cc1ccccc1-c1ccoc1-c1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
ESR2 Q92731 1/20 0.43
TSHR P16473 1/20 0.38
PTPN5 P54829 1/20 0.37
USP8 P40818 1/20 0.35
USP7 Q93009 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TRPA1 O75762 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PTGES O14684 1/20 0.33
PDK2 Q15119 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL30453765 0.84 MEN1 (0.41) PTPRCESR2TSHR
SCHEMBL30869964 0.84 MEN1 (0.42) PTPRCESR2TSHR
SCHEMBL30452328 0.82 ESR2 (0.39) PTPRCESR2TSHRPTPN5GABRG2
SCHEMBL222 0.78 ESR2 (0.60) ESR2TSHRPTPN5USP8USP7
SCHEMBL29412287 0.78 ESR2 (0.60) ESR2TSHRPTPN5USP8USP7
SCHEMBL12679722 0.73 ESR2 (0.50) ESR2TSHRPTPN5USP8USP7
SCHEMBL8476284 0.71 MEN1 (0.50) ESR2TSHRLMNA
SCHEMBL31264118 0.71 MEN1 (0.50) ESR2TSHRLMNA
Bicarbonate SCHEMBL7256331 0.69 ESR2 (0.55) ESR2TSHRPTPN5USP8USP7
SCHEMBL31358675 0.68 CHRM2 (0.42) TSHRCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6020488-A Small molecule inhibition of RNA/ligand binding SCRIPTGEN PHARMACEUTICALS INC. (US) 2000-02-01 US disclosed
US-5935776-A 2,5-BIS(4-(3-N,N,-DIMETHYLAMINOPROPYLAMIDINO)PHENYL)FURAN OR PHARMACEUTICALLY ACCEPTABLE SALT AND DILUENT OR CARRIER AS VIRICIDE TO SUPPRESS BINDING OF REV PROTEIN TO MESSENGER RNAS THUS SUPPRESSING REPLICATION OF HUMAN IMMUNODEFICIENCY VIRUS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1999-08-10 US disclosed
EP-0833824-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1998-04-08 EP disclosed
US-5668165-A TREATMENT OF HIV INFECTIONS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-16 US disclosed
WO-1996040668-A2 SMALL MOLECULE INHIBITION OF RNA/LIGAND BINDING SCRIPTGEN PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed