SCHEMBL19848160

SCHEMBL19848160

Cc1ccc(N=N)c(NC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL8342155 0.76 GAA (0.37) GAAHPGDALDH1A1MEN1HSP90AA1
SCHEMBL3709124 0.76 RAPGEF4 (0.48) GAAHPGDALDH1A1MEN1HSP90AA1
SCHEMBL10634390 0.72 RAPGEF4 (0.50) GAAHPGDALDH1A1MEN1HSP90AA1
SCHEMBL21991425 0.69 NPSR1 (0.48) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL16122112 0.69 NPC1 (0.50) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL8000704 0.67 HPGD (0.37) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL12181231 0.66 CYP3A4 (0.52) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1485811 0.65 TDP1 (0.42) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL9311999 0.64 HDAC7 (0.44) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL10852299 0.64 MEN1 (0.32) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 — — EP disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 — — EP disclosed
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