SCHEMBL29413812

SCHEMBL29413812

Cc1nc(C)c(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2O)nc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ SCN5A Q14524 4/20 0.44
▸ NPY5R Q15761 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ F2RL3 Q96RI0 1/20 0.40
▸ SCN10A Q9Y5Y9 4/20 0.39
▸ ACP1 P24666 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PSD A5PKW4 1/20 0.37
▸ SCN2A Q99250 1/20 0.36
▸ PPARD Q03181 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
SCHEMBL29413795 0.82 NPC1 (0.48) MAPTKDM4EL3MBTL1NPY5RCYP1A2
SCHEMBL29413855 0.81 FAAH (0.34) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL29413827 0.79 NPC1 (0.43) MAPTMAPK1KDM4EGAACYP1A2
SCHEMBL29413805 0.78 KDR (0.40) MAPTMAPK1KDM4EL3MBTL1CYP1A2
SCHEMBL29413821 0.77 CA1 (0.40) MAPTKDM4ECYP1A2NPC1ALDH1A1
SCHEMBL17290376 0.76 MAPT (0.48) MAPTMAPK1KDM4EGAAL3MBTL1
SCHEMBL29413798 0.74 RAD51 (0.44) MAPTGAAL3MBTL1NPY5RPOLB
SCHEMBL29413782 0.71 — —
SCHEMBL31199041 0.70 MAPT (0.36) MAPTKDM4EL3MBTL1CYP1A2ADORA3
SCHEMBL15814004 0.69 MAPT (0.62) MAPTMAPK1KDM4EGAAL3MBTL1

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-108558833-B Pyrazole alcohol compound, pharmaceutical composition thereof and application thereof in medicines 贵州医科大学 2022-03-04 — — CN disclosed
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