SCHEMBL7302671

SCHEMBL7302671

COc1ccccc1Oc1c(OCC(O)CO)nc(-c2cccs2)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.43
EDNRB P24530 2/20 0.43
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.36
AGTR1 P30556 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
DHPS P49366 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7328142 0.90 EDNRA (0.48) EDNRAEDNRBDHPS
SCHEMBL7391386 0.88 EDNRA (0.46) EDNRAEDNRBGAALMNAHTT
SCHEMBL7388129 0.88 EDNRA (0.46) EDNRAEDNRBGAALMNAHTT
SCHEMBL7304228 0.86 EDNRA (0.58) EDNRAEDNRBGAALMNAHTT
SCHEMBL7303288 0.84 EDNRA (0.46) EDNRAEDNRBGAALMNAHTT
SCHEMBL7300166 0.83 DHPS (0.38) EDNRAEDNRBMEN1KMT2ANPSR1
SCHEMBL7387930 0.81 EDNRA (0.38) EDNRAEDNRB
SCHEMBL7301959 0.81 EDNRA (0.38) EDNRAEDNRB
SCHEMBL7321798 0.79 GBA1 (0.40) EDNRAEDNRBLMNAHTTMEN1
SCHEMBL7331793 0.79 EDNRA (0.49) EDNRAEDNRBDHPS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed