SCHEMBL7303200

SCHEMBL7303200

COc1cc(F)ccc1Oc1c(Cl)ncnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ TRPA1 O75762 4/20 0.48
▸ DHPS P49366 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.40
▸ KDR P35968 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ AMY1A P0DUB6 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38

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
SCHEMBL7298131 0.94 TRPA1 (0.45) NPBWR1MCHR1TRPA1DHPSLRRK2
SCHEMBL7294883 0.83 DHPS (0.50) NPBWR1MCHR1TRPA1DHPSAMY1A
SCHEMBL7293817 0.83 ACHE (0.53) NPBWR1MCHR1DHPSAURKAENPP1
SCHEMBL1748457 0.82 DHPS (0.50) DHPSMEN1ALDH1A1KMT2ANFE2L2
SCHEMBL7300009 0.80 DHPS (0.51) NPBWR1MCHR1TRPA1DHPS
SCHEMBL8323293 0.78 CA12 (0.50) NPBWR1MCHR1KDRPDGFRBPDGFRA
Pyrimidine SCHEMBL628523 0.75 DHPS (0.45) DHPSMEN1ALDH1A1KMT2ANFE2L2
SCHEMBL7297932 0.75 HTR1A (0.43) TRPA1DHPSLRRK2KDRMEN1
SCHEMBL166380 0.73 NFE2L2 (0.61) PDGFRBPDGFRAALDH1A1NFE2L2
SCHEMBL18472613 0.73 NFE2L2 (0.61) PDGFRBPDGFRAALDH1A1NFE2L2

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
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