SCHEMBL27859366

SCHEMBL27859366

Nc1ccn(-c2ccc(F)cc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 4/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 2/20 0.33
NR3C2 P08235 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
BACE1 P56817 1/20 0.33
ALOX15 P16050 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MPI P34949 1/20 0.32

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
SCHEMBL2350643 0.83 NOTUM (0.43) L3MBTL1GAAMEN1KMT2AALDH1A1
SCHEMBL29571818 0.83 ALDH1A1 (0.41) L3MBTL1GAAMEN1KMT2ACA12
SCHEMBL2357923 0.83 ALDH1A1 (0.41) L3MBTL1GAAMEN1KMT2ACA12
SCHEMBL20249708 0.80 CRHR1 (0.40) L3MBTL1P2RX7GAAMEN1KMT2A
SCHEMBL16201984 0.80 GAA (0.50) L3MBTL1P2RX7GAAMEN1CASP6
SCHEMBL29572778 0.80 BCHE (0.40) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL15639297 0.80 BCHE (0.40) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL2359645 0.79 L3MBTL1 (0.41) L3MBTL1P2RX7GAAMEN1KMT2A
SCHEMBL29572188 0.79 L3MBTL1 (0.41) L3MBTL1P2RX7GAAMEN1KMT2A
SCHEMBL11338020 0.79 NOTUM (0.47) GAAALDH1A1

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-102272120-A Biologically active amides 2011-12-07 CN disclosed