SCHEMBL7293762

SCHEMBL7293762

COc1ccc(-c2nc(Cl)c(Oc3ccccc3OC)c(Cl)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 15/20 0.82
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL29015747 0.91 DHPS (1.00) DHPS
SCHEMBL30411983 0.91 DHPS (1.00) DHPS
SCHEMBL28589605 0.90 DHPS (0.82) DHPS
SCHEMBL7303389 0.89 DHPS (0.81) DHPSALDH1A1HTTMAPTLMNA
SCHEMBL28581580 0.88 DHPS (0.82) DHPS
SCHEMBL28584053 0.88 DHPS (0.82) DHPSMAPK1LMNATSHR
SCHEMBL28916573 0.87 DHPS (0.83) DHPSTP53SMN1; SMN2
SCHEMBL4071996 0.85 DHPS (0.67) DHPSTP53SMN1; SMN2
SCHEMBL7851372 0.85 DHPS (0.84) DHPSMAPTSMN1; SMN2
SCHEMBL6971895 0.83 DHPS (0.62) DHPSALDH1A1HPGD

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 6 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
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 — — EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 — — US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 — — 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
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