SCHEMBL7302858

SCHEMBL7302858

COc1cccc(Oc2c(O)nc[nH]c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
SRC P12931 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
ALK Q9UM73 2/20 0.41
MET P08581 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PDPK1 O15530 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 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
SCHEMBL7300154 0.85 KMT2A (0.45) PKMSRCMAPKAPK2ALKKDM4E
SCHEMBL7297793 0.82 BRD4 (0.44) ALKKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL7700541 0.77 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7296430 0.77 HTT (0.40) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL7297004 0.77 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL21611522 0.75 ALDH1A1 (0.46) PKMSRCMAPKAPK2ALKMET
SCHEMBL22588132 0.71 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL11628855 0.71 SMN1; SMN2 (0.53) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL7305815 0.69 PARP1 (0.42) ALKMETALDH1A1SMN1; SMN2RAB9A
SCHEMBL9046374 0.68 ALDH1A1 (0.50) PKMMAPKAPK2KDM4EALDH1A1SMN1; 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-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