SCHEMBL6964288

SCHEMBL6964288

COc1ccccc1Oc1c(Cl)nc(-c2cccc(C#N)c2)nc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHPS P49366 14/20 0.61
MEN1 O00255 2/20 0.49
USP2 O75604 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
AR P10275 1/20 0.46
ABCG2 Q9UNQ0 2/20 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
SCHEMBL6971895 0.86 DHPS (0.62) DHPSALDH1A1AR
SCHEMBL28577446 0.83 DHPS (0.83) DHPSMEN1KMT2ATSHR
SCHEMBL28587165 0.82 DHPS (0.84) DHPSMEN1KMT2ALMNATSHR
SCHEMBL7851372 0.82 DHPS (0.84) DHPSCYP1A2CYP3A4CLK4CYP2C9
SCHEMBL7303389 0.81 DHPS (0.81) DHPSMEN1KMT2ALMNAALDH1A1
SCHEMBL28589425 0.81 DHPS (0.84) DHPS
SCHEMBL28584109 0.81 DHPS (0.65) DHPSABCG2
SCHEMBL30450864 0.81 DHPS (0.84) DHPS
SCHEMBL5035040 0.81 DHPS (0.53) DHPSMEN1KMT2AALDH1A1
SCHEMBL24914999 0.80 DHPS (0.54) DHPSMEN1KMT2ACLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed