SCHEMBL6665669

SCHEMBL6665669

NC(=O)c1ccncc1.O=C(O)c1ccc2c(c1)C(=O)CC(=O)N2Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
KMT2A Q03164 4/20 0.43
PRKAG1 P54619 4/20 0.43
PRKAA2 P54646 4/20 0.43
PRKAB1 Q9Y478 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP6 P55212 1/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.40
ADRA1D P25100 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6670369 0.92 PRKAG1 (0.43) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6663894 0.89 ALDH1A1 (0.45) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6664683 0.89 KMT2A (0.43) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6666692 0.88 PRKAG1 (0.45) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6667091 0.87 CTRB1 (0.39) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6663006 0.86 PRKAG1 (0.40) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6668051 0.84 PTGDR2 (0.43) CPT2CPT1ACPT1BKMT2APRKAG1
SCHEMBL6665674 0.78 P2RX3 (0.40) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6667930 0.77 KMT2A (0.51) KMT2APRKAG1PRKAA2PRKAB1MEN1
SCHEMBL6666774 0.76 MAPT (0.47) KMT2AMEN1TP53KDM4EGAA

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-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed