SCHEMBL7296122

SCHEMBL7296122

COc1ccccc1Oc1c(Cl)nc(-c2ccco2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.53
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
ADORA2A P29274 2/20 0.44
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
F2 P00734 1/20 0.43
ADORA1 P30542 1/20 0.42

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
SCHEMBL7589698 0.78 ALDH1A1 (0.47) DHPSTP53SMN1; SMN2NPC1RAB9A
SCHEMBL7303389 0.78 DHPS (0.81) DHPSMEN1KMT2AMAPT
SCHEMBL7302681 0.77 EDNRA (0.55) DHPS
SCHEMBL7204802 0.77 DHPS (0.57) DHPSSMN1; SMN2MEN1MAPK1KMT2A
SCHEMBL5632471 0.77 DHPS (0.57) DHPSSMN1; SMN2MAPK1KMT2AMAPT
SCHEMBL7303154 0.77 DHPS (0.59) DHPSMEN1MAPK1KMT2AMAPT
SCHEMBL29770374 0.77 DHPS (0.58) DHPS
SCHEMBL618135 0.77 DHPS (0.58) DHPS
SCHEMBL7302684 0.77 DHPS (0.38) DHPSMAPT
SCHEMBL28589605 0.75 DHPS (0.82) 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