SCHEMBL7696683

SCHEMBL7696683

COc1ccccc1Oc1c(OCCNC(=O)Nc2ccccn2)nc(-c2ncccn2)nc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.56
EDNRB P24530 10/20 0.56
DHPS P49366 2/20 0.46
ABCC3 O15438 1/20 0.46
ABCC4 O15439 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
NR1H3 Q13133 1/20 0.46
NR1I3 Q14994 1/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7850706 0.93 EDNRA (0.52) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7696685 0.92 EDNRA (0.57) EDNRAEDNRBDHPS
SCHEMBL7699796 0.90 EDNRA (0.52) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4061140 0.84 EDNRA (0.67) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7700296 0.83 EDNRA (0.57) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4060083 0.82 EDNRA (0.64) EDNRAEDNRBDHPS
SCHEMBL7699797 0.82 DHPS (0.56) EDNRAEDNRBDHPS
SCHEMBL7848794 0.78 EDNRA (0.65) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7850330 0.78 EDNRA (0.81) EDNRAEDNRB
SCHEMBL4059947 0.78 EDNRA (0.61) EDNRAEDNRBDHPS

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-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed