SCHEMBL19002274

SCHEMBL19002274

Cc1cccc(-c2[nH]c(=O)[nH]c(=O)c2C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 1/20 0.48
ACMSD Q8TDX5 1/20 0.47
IDO1 P14902 3/20 0.45
TDO2 P48775 1/20 0.45
PIM1 P11309 2/20 0.44
CXCR2 P25025 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE9A O76083 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL28901729 0.86 POLB (0.70) POLBKDM4EALDH1A1HPGDGAA
SCHEMBL19002277 0.82 ACMSD (0.44) POLBKDM4EALDH1A1GAAACMSD
SCHEMBL11023464 0.70 KDM4E (0.46) KDM4EALDH1A1HPGDGAAPIM1
SCHEMBL20340038 0.70 KDM4E (0.56) KDM4EALDH1A1HPGDGAAPIM1
SCHEMBL5937494 0.69 ACMSD (0.61) POLBKDM4EALDH1A1HPGDGAA
SCHEMBL28843348 0.69 ACMSD (0.67) POLBKDM4EGAAACMSDPIM1
SCHEMBL28477518 0.69 ACMSD (0.64) POLBKDM4EALDH1A1HPGDGAA
SCHEMBL30051338 0.69 ACMSD (0.64) POLBKDM4EALDH1A1HPGDGAA
SCHEMBL30049841 0.69 MAPK14 (0.50) KDM4EALDH1A1HPGDGAAIDO1
SCHEMBL13946114 0.69 MAPK14 (0.50) KDM4EALDH1A1HPGDGAAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017106552-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AND COMBINATION THERAPY UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-06-22 WO disclosed