SCHEMBL27663449

SCHEMBL27663449

[CH2]c1cc(=O)n(Cc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.48
▸ CYP11B2 P19099 2/20 0.47
▸ TNF P01375 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ADORA2A P29274 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4C Q9H3R0 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ GRK2 P25098 1/20 0.43
▸ PARN O95453 1/20 0.43
▸ CNOT7 Q9UIV1 1/20 0.43
▸ PNP P00491 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL29044749 0.80 KDM4C (0.48) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL3525336 0.80 ADORA2A (0.51) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL3523300 0.80 GAA (0.50) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL1529051 0.80 YTHDC1 (0.46) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL3521393 0.76 MAPK14 (0.58) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL11788419 0.76 PKM (0.45) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL3519184 0.75 MAPK14 (0.50) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL3518913 0.75 ABL1 (0.51) MAPK14CYP11B2TNFCYP11B1GAA
SCHEMBL3522628 0.73 MAPK14 (0.51) MAPK14CYP11B2CYP11B1GAAPKM
SCHEMBL6472397 0.72 MAPK14 (0.58) MAPK14ADORA2ASMN1; SMN2KDM4EHPGD

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-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 — — CN disclosed
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