SCHEMBL8977911

SCHEMBL8977911

Cc1onc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1Br

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 14/20 0.69
EDNRB P24530 2/20 0.69
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL7939668 0.88 EDNRA (0.67) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7223284 0.83 EDNRA (0.66) EDNRAEDNRBTSHR
SCHEMBL7857311 0.81 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7715940 0.80 EDNRA (0.58) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL7939548 0.76 EDNRA (0.64) EDNRAEDNRBKDM4EMEN1CYP3A4
Bms-182874 SCHEMBL802730 0.76 EDNRA (1.00) EDNRAEDNRBKDM4EMEN1CYP3A4
SCHEMBL8890120 0.76 EDNRA (1.00) EDNRA
SCHEMBL8060560 0.76 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8055637 0.76 EDNRA (0.74) EDNRA
Bms-182874 SCHEMBL117150 0.75 EDNRA (0.98) EDNRAEDNRBKDM4EMEN1CYP3A4

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
US-5514691-A N-(4-halo-isoxazolyl)-sulfonamides and derivatives thereof that modulate the activity of endothelin IMMUNOPHARMACEUTICS, INC. (US) 1996-05-07 US disclosed