SCHEMBL28911965

SCHEMBL28911965

NC(=O)c1ncccc1C1(N)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
AGER Q15109 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.37
SPR P35270 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
SCHEMBL30066845 0.78 KDM4E (0.41) PARP1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29660941 0.76 SPR (0.37) PARP1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29661036 0.75 KDM4E (0.39) PARP1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29660938 0.74 PDK2 (0.41) PARP1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL7226244 0.73 PARP1 (0.50) PARP1
SCHEMBL22031860 0.72 PARP1 (0.44) PARP1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29660939 0.70 KDM4E (0.37) PARP1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL4560363 0.68 MKNK1 (0.50) PARP1KDM4EALDH1A1CYP3A4MAPT
SCHEMBL17503606 0.67 KDM4E (0.43) KDM4EALDH1A1MAPTL3MBTL1GAA
SCHEMBL9516966 0.67 HDAC4 (0.41)

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-112739345-A PIM kinase inhibitor compositions, methods and uses thereof 斯奈普生物公司 2021-04-30 CN disclosed