SCHEMBL11209326

SCHEMBL11209326

Cc1cc(C)[n+]([O-])c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TSHR P16473 1/20 0.38
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NCF1 P14598 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PIK3CG P48736 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
S1PR4 O95977 1/20 0.30
MAPT P10636 1/20 0.30
S1PR1 P21453 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL13302858 0.79 NOS3 (0.35) NOS3NOS1NOS2ALDH1A1CYP3A4
SCHEMBL8687196 0.78 TSHR (0.35) TSHRKDM4ECYP3A4
SCHEMBL6472858 0.78 TSHR (0.35) TSHRKDM4EALDH1A1MAPT
SCHEMBL8692425 0.75 ALDH1A1 (0.35) TSHRKDM4EPOLBALDH1A1CYP3A4
SCHEMBL4653754 0.75 TSHR (0.47) TSHR
SCHEMBL8692381 0.75 MAPT (0.35) TSHRMAPT
SCHEMBL15788762 0.73 TSHR (0.38) TSHRKDM4EPOLBAPOBEC3GALDH1A1
SCHEMBL8689374 0.71 KDM4E (0.45) TSHRKDM4E
SCHEMBL8692199 0.71 MAPT (0.34) TSHRPOLBPIK3CGSMN1; SMN2MAPT
SCHEMBL8687585 0.71 ALDH1A1 (0.40) TSHRKDM4EPOLBPIK3CGALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015083-B1 PYROMELLITIC DIIMIDE COMPLEXES, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE IN IMPROVING THE FEED EFFICIENCY OF RUMINANTS MERCK & CO. INC. (US) 1982-12-29 EP claimed
US-4411690-A Fused [1,2,4]oxadiazolylidenebenzenesulfonamides and their use as herbicides and plant growth regulants E. I. DU PONT DE NEMOURS & CO. (US) 1983-10-25 US disclosed
EP-0058476-A2 Fused (1,2,4) oxadiazolylidenebenzenesulfonamides and their use as herbicides and plant growth regulants E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-25 EP disclosed
EP-0057546-A2 Sulfonylurea N-oxides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-11 EP disclosed