SCHEMBL7300154

SCHEMBL7300154

COc1ccc(Oc2c(O)nc[nH]c2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
NPC1 O15118 1/20 0.44
PDPK1 O15530 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
XDH P47989 1/20 0.44
ALK Q9UM73 2/20 0.42
LTA4H P09960 1/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.40
SRC P12931 2/20 0.39
GAA P10253 2/20 0.39
MAPKAPK2 P49137 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
SCHEMBL7302858 0.85 PKM (0.45) KMT2AALDH1A1HPGDKDM4ENPC1
SCHEMBL7297793 0.84 BRD4 (0.44) KMT2AABL1RIN1ALDH1A1HPGD
SCHEMBL7296430 0.79 HTT (0.40) KMT2AALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL9046374 0.78 ALDH1A1 (0.50) KMT2AABL1RIN1ALDH1A1HPGD
SCHEMBL7295195 0.73 PARP1 (0.42) KMT2AALDH1A1HPGDNPC1PDPK1
Hydrochloric Acid SCHEMBL21611611 0.72 KMT2A (0.48) KMT2AABL1RIN1ALDH1A1HPGD
SCHEMBL7305815 0.70 PARP1 (0.42) ABL1ALDH1A1PDPK1RAB9ASMN1; SMN2
SCHEMBL22588460 0.68 NPBWR1 (0.42) KMT2AALDH1A1LTA4HMEN1
SCHEMBL15846544 0.67 IP6K1 (0.59) KMT2AABL1RIN1ALDH1A1HPGD
SCHEMBL13946982 0.66 ALDH1A1 (0.50) KMT2AABL1RIN1ALDH1A1HPGD

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