SCHEMBL7303154

SCHEMBL7303154

COc1ccccc1Oc1c(Cl)nc(-c2ccoc2)nc1Cl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 16/20 0.59
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
TSHR P16473 3/20 0.46
CYP2C19 P33261 3/20 0.46
HSD17B10 Q99714 3/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.40

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 0.83 DHPS (0.81) DHPSALDH1A1LMNAMEN1MAPT
SCHEMBL28589605 0.80 DHPS (0.82) DHPS
SCHEMBL4071996 0.79 DHPS (0.67) DHPS
SCHEMBL28584053 0.79 DHPS (0.82) DHPSTSHRMAPK1LMNATDP1
SCHEMBL28581580 0.79 DHPS (0.82) DHPS
SCHEMBL7293762 0.79 DHPS (0.82) DHPSTSHRALDH1A1MAPK1LMNA
SCHEMBL28916573 0.78 DHPS (0.83) DHPSHSD17B10
SCHEMBL7305017 0.78 EDNRA (0.59) DHPS
SCHEMBL7305025 0.77 DHPS (0.42) DHPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28577446 0.77 DHPS (0.83) DHPSTSHRMEN1MAPTKMT2A

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