SCHEMBL7979535

SCHEMBL7979535

COc1ccccc1Oc1c(Cl)nc(-c2ccnc(-c3noc(=O)[nH]3)c2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.50
EDNRA P25101 4/20 0.50
DHPS P49366 14/20 0.42
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GLA P06280 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
SCHEMBL7979436 0.91 EDNRB (0.43) EDNRBEDNRADHPS
SCHEMBL7979542 0.89 DHPS (0.56) EDNRBEDNRADHPS
SCHEMBL5632776 0.83 DHPS (0.43) EDNRBEDNRADHPS
SCHEMBL7993866 0.82 EDNRB (0.55) EDNRBEDNRADHPSMAPT
SCHEMBL7979438 0.79 DHPS (0.56) EDNRBEDNRADHPS
SCHEMBL5036558 0.77 DHPS (0.48) DHPS
SCHEMBL4061451 0.77 DHPS (0.58) EDNRBEDNRADHPS
SCHEMBL5035283 0.76 DHPS (0.43) EDNRBEDNRADHPSMAPT
SCHEMBL7415372 0.76 DHPS (0.50) DHPSUSP2LMNAESR1TP53
SCHEMBL7993871 0.75 EDNRB (0.56) EDNRBEDNRADHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 WO disclosed