SCHEMBL27989176

SCHEMBL27989176

COc1cnc(OCC(F)(F)F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
SIRT6 Q8N6T7 1/20 0.40
SCN9A Q15858 3/20 0.39
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL22518704 0.82 L3MBTL1 (0.45) L3MBTL1SCN9APOLBMAPK1CYP1A2
SCHEMBL12301395 0.82 L3MBTL1 (0.45) L3MBTL1SCN9APOLBMAPK1CYP1A2
SCHEMBL20469353 0.79 L3MBTL1 (0.42) L3MBTL1SCN9APOLBMAPK1CYP1A2
SCHEMBL31508041 0.78 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2SMN1; SMN2
SCHEMBL22518710 0.78 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2SMN1; SMN2
SCHEMBL29005123 0.78 L3MBTL1 (0.45) L3MBTL1SCN9APOLBMAPK1CYP1A2
SCHEMBL28013297 0.78 L3MBTL1 (0.45) L3MBTL1POLBMAPK1CYP1A2SMN1; SMN2
SCHEMBL29005174 0.77 L3MBTL1 (0.41) L3MBTL1SCN9APOLBMAPK1CYP1A2
SCHEMBL27988925 0.77 L3MBTL1 (0.45) L3MBTL1CYP1A2SMN1; SMN2TSHRMAPT
SCHEMBL30302222 0.77 SIRT6 (0.41) SIRT6SMN1; SMN2TSHRMAPTPTGS1

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-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 CN disclosed