SCHEMBL9047855

SCHEMBL9047855

COc1ccccc1Cc1c(O)nc[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
PNP P00491 1/20 0.46
NR3C1 P04150 1/20 0.42
IDH1 O75874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCR2 P41597 1/20 0.39
PDE10A Q9Y233 1/20 0.38
CNR2 P34972 1/20 0.38
DAO P14920 1/20 0.38
QPCT Q16769 1/20 0.38
BRS3 P32247 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
SCHEMBL9045170 0.79 SMN1; SMN2 (0.48) ARPNPNR3C1SMN1; SMN2DAO
SCHEMBL9046955 0.78 PNP (0.38) PNPSMN1; SMN2POLBTSHR
SCHEMBL15846218 0.74 IP6K1 (0.44) ARPNPIDH1POLBTDP1
SCHEMBL7296430 0.73 HTT (0.40) SMN1; SMN2POLBTDP1TP53TSHR
SCHEMBL8323254 0.70 HAO1 (0.42) PNPSMN1; SMN2POLB
SCHEMBL20212358 0.70 HTR6 (0.51) PNPSMN1; SMN2
SCHEMBL2090430 0.69 IDO1 (0.53) CNR2
SCHEMBL3296809 0.68 IDO1 (0.61) SMN1; SMN2CNR2
SCHEMBL11449203 0.67 IDO1 (0.47) ARPNPNR3C1TDP1CNR2
SCHEMBL11450223 0.67 LMNA (0.52) ARPNPNR3C1SMN1; SMN2PDE10A

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-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed