SCHEMBL3235004

SCHEMBL3235004

CC1=C(C(=O)O)C(c2cccc3ccccc23)c2c(C)nn(C)c2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RCE1 Q9Y256 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATM Q13315 1/20 0.38
EEF2K O00418 1/20 0.36
MARK3 P27448 1/20 0.36
AXL P30530 1/20 0.36
BCL6 P41182 1/20 0.36
NEK4 P51957 1/20 0.36
PRKCD Q05655 1/20 0.36
MCL1 Q07820 1/20 0.36
PRKAA1 Q13131 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
PIM3 Q86V86 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36

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
SCHEMBL4261000 0.86 MAPT (0.56) MEN1KMT2ARCE1MAPTNPSR1
SCHEMBL7271163 0.83 CACNA1C (0.50) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3049870 0.79 KMT2A (0.49) MEN1KMT2ARCE1MAPTNPSR1
SCHEMBL7272604 0.77 KMT2A (0.47) MEN1KMT2ARCE1MAPTNPSR1
SCHEMBL7282347 0.73 MTOR (0.40) KDM4EUBE2MDCUN1D1
SCHEMBL7282581 0.73 ALDH1A1 (0.38) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL7282056 0.72 CACNA1C (0.67) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9401663 0.72 KDM4E (0.58) MEN1KMT2ARCE1MAPTNPSR1
SCHEMBL7278639 0.71 TSHR (0.52) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL9506294 0.71 GAA (0.33) KMT2AMAPTALDH1A1CA1CA2

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-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed