SCHEMBL7294963

SCHEMBL7294963

COc1ccccc1Oc1c(Cl)nc(-c2cccnc2)nc1Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHPS P49366 13/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
GAA P10253 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GBA1 P04062 1/20 0.46

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
SCHEMBL7303389 0.86 DHPS (0.81) DHPSALDH1A1MAPTKMT2AMEN1
SCHEMBL4071996 0.85 DHPS (0.67) DHPSGAASMN1; SMN2NPC1RAB9A
SCHEMBL28589605 0.80 DHPS (0.82) DHPS
SCHEMBL7700308 0.80 DHPS (0.51) DHPSALDH1A1MAPTKMT2AMEN1
SCHEMBL28577446 0.80 DHPS (0.83) DHPSMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL28581580 0.79 DHPS (0.82) DHPS
SCHEMBL28584053 0.79 DHPS (0.82) DHPS
SCHEMBL7293762 0.79 DHPS (0.82) DHPSALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29770374 0.79 DHPS (0.58) DHPS
SCHEMBL618135 0.79 DHPS (0.58) DHPS

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-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed