SCHEMBL30700598

SCHEMBL30700598

COC(=O)c1ccnn1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ ELANE P08246 1/20 0.48
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ ATR Q13535 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL26112334 0.84 F2 (0.47) F2PLAUKLKB1ELANEKMT2A
SCHEMBL26113272 0.83 F2 (0.46) F2PLAUKLKB1ELANEKMT2A
SCHEMBL30700394 0.79 HCAR3 (0.39) KMT2AL3MBTL1ALDH1A1ATMKDM4E
SCHEMBL25522012 0.79 KMT2A (0.37) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL25564432 0.78 HTT (0.34) F2PLAUKLKB1ELANEKMT2A
SCHEMBL5531898 0.76 SMN1; SMN2 (0.58) F2PLAUKLKB1ELANEKMT2A
SCHEMBL28199249 0.76 F2 (0.55) F2PLAUKLKB1ELANEKMT2A
SCHEMBL25530092 0.75 ALDH1A1 (0.35) KMT2AL3MBTL1ALDH1A1SMN1; SMN2ATM
SCHEMBL25856053 0.75 KMT2A (0.34) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18704008 0.74 F2 (0.50) F2PLAUKLKB1ELANEKMT2A

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
WO-2023243678-A1 PYRAZOLE COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PEST CONTROL AGENT 日産化学株式会社 2023-12-21 — — WO disclosed
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