SCHEMBL28813265

SCHEMBL28813265

COC(=O)c1cc(C)n[nH]1.Cc1cc[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
ALPL P05186 11/20 0.52
MAPT P10636 6/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.42
GFER P55789 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL171413 0.88 MAPK1 (0.67) MAPK1ALPLMAPTRAB9APOLB
SCHEMBL970232 0.71 ALPL (0.57) MAPK1ALPLMAPTRAB9AGAA
Methyl Alcohol SCHEMBL28298695 0.71
SCHEMBL285996 0.71 MAPK1 (0.67) MAPK1ALPLMAPTRAB9APOLB
SCHEMBL68056 0.71 MAPK1 (1.00) MAPK1ALPLMAPTRAB9APOLB
SCHEMBL47212 0.71
Hydrochloric Acid SCHEMBL28348020 0.70 ALPL (0.56) MAPK1ALPLMAPTRAB9AGAA
SCHEMBL30107039 0.69 MAPK1 (0.70) MAPK1ALPLMAPTRAB9APOLB
SCHEMBL21630583 0.69 MAPK1 (0.65) MAPK1ALPLMAPTRAB9APOLB
SCHEMBL20517628 0.69 MAPK1 (0.65) MAPK1ALPLMAPTRAB9APOLB

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-103880749-A Chemical synthesis method of methyl 3-methyl-5-pyrazolylformate UNIV NANTONG 2014-06-25 CN disclosed