SCHEMBL9493637

SCHEMBL9493637

O=S(=O)(Nc1ncnc(OCCO)c1-c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.79
EDNRB P24530 8/20 0.79
KDM1A O60341 2/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR1 P32246 1/20 0.43
CCR2 P41597 1/20 0.43
CCR4 P51679 1/20 0.43

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
SCHEMBL9046446 0.92 EDNRA (0.84) EDNRAEDNRB
SCHEMBL9045018 0.89 EDNRA (1.00) EDNRAEDNRBKDM1A
SCHEMBL9044584 0.89 EDNRA (1.00) EDNRAEDNRBKDM1A
SCHEMBL9045132 0.88 EDNRA (0.98) EDNRAEDNRBKDM1A
SCHEMBL9044911 0.85 EDNRA (0.76) EDNRAEDNRBCCR2
SCHEMBL9046659 0.85 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9044916 0.85 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9046653 0.85 EDNRA (0.76) EDNRAEDNRB
SCHEMBL9492250 0.84 KDM1A (0.59) EDNRAEDNRBKDM1AMEN1KMT2A
SCHEMBL9046971 0.83 EDNRA (0.90) EDNRAEDNRB

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-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed