SCHEMBL7589698

SCHEMBL7589698

COc1cccc(Oc2c(Cl)nc(-c3ccco3)nc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.46
PTPN7 P35236 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DHPS P49366 1/20 0.46
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL7582159 0.84 HPGD (0.47) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL7296122 0.78 DHPS (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7585609 0.78 EDNRB (0.51)
SCHEMBL8398581 0.78 NPBWR1 (0.35) ALDH1A1HPGDKDM4ERAB9ANPC1
SCHEMBL7303236 0.78 CLK4 (0.51) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL7580836 0.78 EDNRA (0.44)
SCHEMBL7298473 0.77 DHPS (0.47) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL7990139 0.76 MAPT (0.58) HPGDKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL7589754 0.76 EDNRA (0.47)
SCHEMBL9423667 0.74 NPC1 (0.52) ALDH1A1HPGDKDM4ERAB9ANPC1

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-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 EP disclosed
US-5856484-A Sulfonylaminopyrimidine carboxylic acid derivatives having endothelin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 EP disclosed