SCHEMBL4261000

SCHEMBL4261000

CCOC(=O)C1=C(C)Nc2c(c(C)nn2C)C1c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
PKM P14618 1/20 0.50
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CACNA1C Q13936 2/20 0.45
HSD17B10 Q99714 3/20 0.43
CASP1 P29466 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP2C9 P11712 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7282275 0.88 CA1 (0.49) MAPTNPSR1KDM4EALDH1A1CACNA1C
SCHEMBL3235004 0.86 MEN1 (0.40) MAPTNPSR1PKMKDM4EALDH1A1
SCHEMBL7278639 0.86 TSHR (0.52) MAPTNPSR1KDM4EALDH1A1CACNA1C
SCHEMBL7282331 0.84 ACHE (0.56) MAPTKDM4EALDH1A1CACNA1CHSD17B10
SCHEMBL7281990 0.83 ADORA3 (0.58) KDM4EALDH1A1CACNA1CHSD17B10CASP1
SCHEMBL2996737 0.81 MAPT (0.70) MAPTNPSR1PKMKDM4EALDH1A1
SCHEMBL4252894 0.80 MAPT (0.46) MAPTNPSR1PKMKDM4EALDH1A1
SCHEMBL3248414 0.80 MAPT (0.57) MAPTNPSR1PKMKDM4EALDH1A1
SCHEMBL7272604 0.78 KMT2A (0.47) MAPTNPSR1KDM4EALDH1A1CACNA1C
SCHEMBL7273090 0.78 ACHE (0.54) MAPTKDM4EALDH1A1CACNA1CMEN1

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-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed