SCHEMBL8977941

SCHEMBL8977941

CCc1ccc(CC)c(S(=O)(=O)NC(=O)c2onc(C)c2Br)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.65
EDNRA P25101 13/20 0.65
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 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
SCHEMBL8977899 0.89 EDNRB (0.64) EDNRBEDNRAKMT2ASMN1; SMN2NPC1
SCHEMBL7716786 0.79 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7954143 0.74 HTT (0.47) EDNRBEDNRAALDH1A1TSHR
SCHEMBL7371066 0.73 EDNRA (0.64) EDNRBEDNRA
SCHEMBL7964834 0.72 EDNRA (0.69) EDNRBEDNRA
SCHEMBL7857521 0.72 EDNRA (1.00) EDNRBEDNRA
SCHEMBL8676438 0.72 EDNRB (0.61) EDNRBEDNRAKMT2ASMN1; SMN2MEN1
SCHEMBL7857292 0.70 EDNRB (1.00) EDNRBEDNRA
SCHEMBL7860475 0.70 EDNRB (0.82) EDNRBEDNRA
SCHEMBL7717213 0.70 EDNRA (0.67) EDNRBEDNRAKMT2AMEN1TSHR

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