SCHEMBL27634864

SCHEMBL27634864

CCOC(=O)c1nc(-c2ccc(CN)cc2)c(-c2ccc(Cl)cc2)nc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.50
CYP19A1 P11511 2/20 0.47
MAPT P10636 4/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46
PRKCZ Q05513 1/20 0.44
DHODH Q02127 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALPL P05186 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL27656015 1.00 TARBP2 (0.50) TARBP2CYP19A1MAPTTRPM8NPSR1
SCHEMBL4680961 0.91 TARBP2 (0.58) TARBP2CYP19A1MAPTTRPM8NPSR1
SCHEMBL4680307 0.88 TARBP2 (0.54) TARBP2CYP19A1MAPTTRPM8NPSR1
SCHEMBL4679991 0.88 TARBP2 (0.54) TARBP2CYP19A1MAPTTRPM8NPSR1
SCHEMBL27634889 0.85 NR1H2 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL27656026 0.85 NR1H2 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL5752570 0.82 TARBP2 (0.52) TARBP2CYP19A1MAPTTRPM8NPSR1
SCHEMBL14101238 0.81 TARBP2 (0.56) TARBP2CYP19A1MAPTTRPM8MEN1
SCHEMBL27655891 0.78 CDH1 (0.41) ALDH1A1DHODHCYP1A2CYP2C9CYP2C19
SCHEMBL27655901 0.78 CDH1 (0.41) ALDH1A1DHODHCYP1A2CYP2C9CYP2C19

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
CN-1809554-A 3-substituted 5,6-diaryl-pyrazine-2-carboxamide and -2-sulfonamide derivatives as cb1 modulators ASTRAZENECA AB (SE) 2006-07-26 CN disclosed