SCHEMBL7582159

SCHEMBL7582159

COc1cccc(Oc2c(O)nc(-c3ccco3)nc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 3/20 0.46
PTPN7 P35236 2/20 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
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 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
SCHEMBL7589698 0.84 ALDH1A1 (0.47) HPGDALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL7979230 0.76 MAPT (0.58) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL7700541 0.72 MAPT (0.48) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL4059458 0.72 L3MBTL1 (0.52) MAPTKMT2APOLBMEN1CYP3A4
SCHEMBL2045217 0.70 ALDH1A1 (0.67) HPGDALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL11833246 0.70 POLB (0.52) HPGDALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL9328921 0.69 ADORA2A (0.76) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL1490054 0.68 POLB (0.58) HPGDALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL18812374 0.67 POLB (0.52) HPGDALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL7297004 0.67 KDM4E (0.48) HPGDALDH1A1KDM4ERAB9ASMN1; SMN2

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