SCHEMBL8692425

SCHEMBL8692425

COc1cc(C)[n+]([O-])c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE2A O00408 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRM4 Q14833 1/20 0.32
PIK3CA P42336 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR6 P50406 1/20 0.31
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6403072 0.82 ALDH1A1 (0.36) ALDH1A1NPC1RAB9APDE2APOLB
SCHEMBL7640097 0.80 ALDH1A1 (0.33) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL8687585 0.80 ALDH1A1 (0.40) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL8692199 0.80 MAPT (0.34) POLBTSHRSMN1; SMN2PIK3CACYP1A2
SCHEMBL8686884 0.80 NUDT1 (0.54) RECQLCYP1A2
SCHEMBL8692203 0.78 MAPT (0.37) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL8689288 0.76 MEN1 (0.38) ALDH1A1NPC1RAB9APOLBLMNA
SCHEMBL11209326 0.75 NOS3 (0.38) ALDH1A1NPC1RAB9APOLBTSHR
SCHEMBL6832179 0.73 KMT2A (0.42) ALDH1A1NPC1RAB9ALMNAL3MBTL1
SCHEMBL8692276 0.73 NUDT1 (0.50) ALDH1A1RAB9ALMNAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760043-A USING 2-AMINOPYRIDINE-3-OXIDE L'OREAL (FR) 1998-06-02 US disclosed
US-5610302-A TREATMENT OF DISEASES OF SCALP DERMATITIS L'OREAL (FR) 1997-03-11 US disclosed
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