SCHEMBL19848407

SCHEMBL19848407

C/C=N\c1cc(F)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ CHIT1 Q13231 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 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
SCHEMBL15058961 0.75 ALDH1A1 (0.50) HTTABL1ALDH1A1PKMPOLB
SCHEMBL9359721 0.75 HTT (0.57) HTTCYP2C19ALDH1A1PKMPOLB
SCHEMBL31548138 0.75 HTT (0.57) HTTCYP2C19ALDH1A1PKMPOLB
SCHEMBL23885419 0.72 CA1 (0.44) L3MBTL1HTTPKMPOLBMAPT
SCHEMBL8116203 0.72 KMT2A (0.56) ALOX15PDK1PDK2PDK3PDK4
SCHEMBL1893876 0.71 KCNK2 (0.57) CYP2C19CYP2C9ALDH1A1MAPT
SCHEMBL7299719 0.70 MEN1 (0.49) L3MBTL1HTTABL1CYP2C19CYP1A2
SCHEMBL12661598 0.70 CYP2C19 (0.39) L3MBTL1HTTCYP2C19CYP1A2CYP2C9
SCHEMBL20051715 0.69 HDAC1 (0.52) —
SCHEMBL4568023 0.69 ALOX15 (0.40) L3MBTL1HTTABL1CYP2C19CYP1A2

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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