SCHEMBL27744896

SCHEMBL27744896

NCc1ccc(F)c(-c2noc(NC(=O)CCc3ccccc3)c2-c2ccncc2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.68
LMNA P02545 1/20 0.43
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MLYCD O95822 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
KDM6B O15054 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37

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
SCHEMBL27765831 0.95 MAPK14 (0.60) MAPK14LMNAMLYCD
SCHEMBL27765870 0.91 MAPK14 (0.56) MAPK14MLYCD
SCHEMBL27765855 0.91 MAPK14 (0.67) MAPK14POLB
SCHEMBL4332716 0.88 MAPK14 (0.69) MAPK14LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4334957 0.88 MAPK14 (0.74) MAPK14LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4334588 0.87 MAPK14 (0.67) MAPK14LMNAMLYCD
SCHEMBL27744865 0.86 MAPK14 (0.71) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL27765823 0.86 MAPK14 (0.80) MAPK14LMNAMLYCDHCAR2KDM6B
SCHEMBL27765813 0.86 MAPK14 (0.73) MAPK14LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4342449 0.85 MAPK14 (0.69) MAPK14LMNARAB9ANPC1SMN1; SMN2

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-101472921-A Pyridylisoxazole derivative ASKA PHARM CO LTD (JP) 2009-07-01 CN disclosed