SCHEMBL20642134

SCHEMBL20642134

CC1=C(C#N)C(=O)N(N(c2ccccc2)c2ccccc2)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RUNX1 Q01196 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CBFB Q13951 1/20 0.40
▸ APP P05067 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 3/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ POLB P06746 2/20 0.31
▸ USP2 O75604 1/20 0.30
▸ THRB P10828 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
SCHEMBL20642135 0.89 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EGAAMEN1
SCHEMBL20642149 0.83 ALDH1A1 (0.36) ALDH1A1HPGDAPPKDM4EGAA
SCHEMBL20642137 0.82 SLC6A2 (0.34) ALDH1A1APPGAATP53TSHR
SCHEMBL20642151 0.81 ALDH1A1 (0.35) ALDH1A1ADORA1KDM4EMEN1MAPT
SCHEMBL20642152 0.80 MEN1 (0.36) MEN1MAPTKMT2A
SCHEMBL20642136 0.80 MAPT (0.34) MAPT
SCHEMBL20642132 0.77 ALDH1A1 (0.38) ALDH1A1HPGDHSP90AA1HTTKDM4E
SCHEMBL15782033 0.76 LMNA (0.35) ALDH1A1HTTADORA1MAPTKMT2A
SCHEMBL20642139 0.76 PKM (0.37) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL14937879 0.71 KMT2A (0.51) ALDH1A1HPGDHTTKDM4EGAA

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
US-10179858-B2 Compound, ink, resist composition for color filter, thermal transfer recording sheet, and toner CANON KABUSHIKI KAISHA (JP) 2019-01-15 — — US disclosed
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