SCHEMBL8977899

SCHEMBL8977899

CCc1ccc(CC)c(S(=O)(=O)NC(=O)c2onc(C)c2C)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.64
EDNRA P25101 8/20 0.64
KMT2A Q03164 6/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 4/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8977941 0.89 EDNRB (0.65) EDNRBEDNRAKMT2ARAB9ASMN1; SMN2
SCHEMBL7857521 0.78 EDNRA (1.00) EDNRBEDNRA
SCHEMBL7716786 0.71 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7951151 0.71 EDNRA (0.52) EDNRA
SCHEMBL31514325 0.70 EDNRA (0.59) EDNRBEDNRAKMT2ASMN1; SMN2MAPT
SCHEMBL22427901 0.66 KAT6A (0.39) EDNRBEDNRAKMT2AMAPTMEN1
SCHEMBL2622530 0.64 ALDH1A1 (0.47) EDNRBEDNRAKMT2ARAB9ASMN1; SMN2
SCHEMBL29652501 0.64 EDNRB (0.56) EDNRBEDNRAKMT2AMAPTMEN1
SCHEMBL21609128 0.64 EDNRB (0.56) EDNRBEDNRAKMT2AMAPTMEN1
SCHEMBL20073678 0.62 EDNRB (0.47) EDNRBEDNRAKMT2ARAB9ASMN1; SMN2

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