SCHEMBL19848387

SCHEMBL19848387

Cc1cc(N=N)c(NC(=O)C(F)(F)F)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ PDK3 Q15120 2/20 0.36
▸ PDK4 Q16654 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PTPN5 P54829 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MAPT P10636 3/20 0.33

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
SCHEMBL4568245 0.75 HDAC1 (0.41) L3MBTL1SMN1; SMN2CYP1A2MEN1USP2
SCHEMBL19848306 0.72 PDK1 (0.35) L3MBTL1PDK1PDK2PDK3PDK4
SCHEMBL6314811 0.71 GAA (0.51) CYP1A2MEN1KMT2APDK1PDK2
SCHEMBL2554351 0.70 RECQL (0.52) SMN1; SMN2MEN1KMT2APDK1PDK2
SCHEMBL23952225 0.68 PDK1 (0.44) L3MBTL1SMN1; SMN2CYP1A2MEN1USP2
SCHEMBL17666342 0.68 MEN1 (0.61) L3MBTL1SMN1; SMN2MEN1KMT2APDK1
SCHEMBL14477937 0.68 NPC1 (0.40) L3MBTL1SMN1; SMN2CYP1A2MEN1USP2
SCHEMBL4568246 0.68 PDK1 (0.38) L3MBTL1SMN1; SMN2CYP1A2MEN1USP2
SCHEMBL16841420 0.68 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2CYP1A2MEN1USP2
SCHEMBL7666909 0.68 PDK1 (0.42) SMN1; SMN2MEN1KMT2APDK1PDK2

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
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 — — EP disclosed
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