SCHEMBL9147656

SCHEMBL9147656

COc1ccc(C(NC(C)=O)C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
CNR2 P34972 1/20 0.51
UTS2R Q9UKP6 4/20 0.50
MDM2 Q00987 1/20 0.50
PTGS2 P35354 2/20 0.48
ACACB O00763 1/20 0.47
TRPA1 O75762 1/20 0.46
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
LMNA P02545 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL6539670 0.81 ALDH1A1 (0.49) CNR2NPC1MAPTMEN1KMT2A
SCHEMBL9147770 0.80 CNR2 (0.48) HPGDCNR2UTS2RMDM2MEN1
SCHEMBL5745792 0.79 ACACB (0.56) CNR2ACACBMAPTMEN1KMT2A
SCHEMBL11749960 0.78 HPGD (0.62) HPGDCNR2UTS2RMDM2PTGS2
SCHEMBL13182705 0.78 HPGD (0.62) HPGDCNR2UTS2RPTGS2NPC1
SCHEMBL11755702 0.78 HPGD (0.62) HPGDCNR2UTS2RMDM2PTGS2
SCHEMBL5444947 0.78 HPGD (0.62) HPGDCNR2UTS2RMDM2PTGS2
SCHEMBL13116493 0.78 UTS2R (0.59) HPGDCNR2UTS2RPTGS2TRPA1
SCHEMBL28987199 0.77 MDM2 (0.58) HPGDMDM2PTGS2NPC1MAPT
SCHEMBL28987197 0.77 MDM2 (0.58) HPGDMDM2PTGS2NPC1MAPT

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
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed
US-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed