SCHEMBL8692199

SCHEMBL8692199

Cc1cc(OC(C)C)nc(N)[n+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BTK Q06187 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TSHR P16473 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 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
SCHEMBL8692425 0.80 ALDH1A1 (0.35) PIK3CAMEN1CYP1A2POLBKMT2A
SCHEMBL8687585 0.76 ALDH1A1 (0.40) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL6398005 0.76 MAPT (0.34) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL6832308 0.75 TLR8 (0.40) TLR8CDK1CCNB1CCNA2CDK2
SCHEMBL8692203 0.73 MAPT (0.37) MAPTMEN1CYP1A2POLBKMT2A
SCHEMBL8689288 0.72 MEN1 (0.38) MAPTMEN1CYP1A2POLBCYP2C9
SCHEMBL8686884 0.72 NUDT1 (0.54) CYP1A2CYP2C9CYP2C19
SCHEMBL11209326 0.71 NOS3 (0.38) MAPTPIK3CGPOLBSMN1; SMN2TSHR
SCHEMBL8692276 0.69 NUDT1 (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6832179 0.69 KMT2A (0.42) MAPTKMT2ASMN1; 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 2 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