SCHEMBL8977950

SCHEMBL8977950

O=C(O)c1c(C(F)(F)F)noc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.50
EDNRA P25101 6/20 0.50
P2RY1 P47900 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
NR1I2 O75469 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
NR1H3 Q13133 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40

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
SCHEMBL8977969 0.88 EDNRB (0.49) EDNRBEDNRAP2RY1NR1I2MEN1
SCHEMBL7849998 0.82 EDNRA (0.69) EDNRBEDNRAP2RY1MEN1KMT2A
SCHEMBL7715903 0.81 EDNRB (0.64) EDNRBEDNRA
SCHEMBL7857284 0.78 EDNRA (0.52) EDNRBEDNRAHDAC6HDAC4HDAC1
SCHEMBL9063613 0.75 EDNRA (0.72) EDNRBEDNRAP2RY1HDAC6HDAC4
SCHEMBL6151679 0.75 EDNRA (0.72) EDNRBEDNRAP2RY1HDAC6HDAC4
SCHEMBL6324589 0.74 EDNRA (0.48) EDNRBEDNRAMETAP2METAP1
SCHEMBL7857440 0.72 EDNRA (0.52) EDNRBEDNRAP2RY1MEN1KMT2A
SCHEMBL7849843 0.72 EDNRA (0.52) EDNRBEDNRAP2RY1MEN1KMT2A
SCHEMBL7857532 0.72 EDNRA (0.52) EDNRBEDNRAP2RY1MEN1KMT2A

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