SCHEMBL22299732

SCHEMBL22299732

Cc1cc(/N=N/c2ccc(N)c3ccccc23)c(C)cc1/N=N/c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ GLO1 Q04760 4/20 0.56
▸ SENP3 Q9H4L4 3/20 0.46
▸ SENP2 Q9HC62 3/20 0.46
▸ SENP1 Q9P0U3 3/20 0.46
▸ SUMO2 P61956 2/20 0.46
▸ SUMO1 P63165 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL22299936 0.91 MEN1 (0.68) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL11795525 0.82 NPC1 (0.58) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL11795518 0.82 NPC1 (0.58) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL11131706 0.81 TDP1 (0.69) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL3694949 0.78 MEN1 (0.89) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL3694952 0.78 MEN1 (0.89) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL3694948 0.78 MEN1 (0.89) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL17501996 0.78 MEN1 (0.45) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL17501997 0.78 MEN1 (0.45) MEN1KMT2ANPC1MAPK1MAPT
SCHEMBL17531096 0.77 GLO1 (0.63) MEN1KMT2ANPC1MAPK1MAPT

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
WO-2020156832-A1 DICHROIC AZO-AZOMETHINE DYES FOR LIQUID CRYSTAL COMPOSITIONS BASF SE (DE) 2020-08-06 — — WO disclosed
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