SCHEMBL9573606

SCHEMBL9573606

COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.68
▸ MAPT P10636 8/20 0.68
▸ MEN1 O00255 7/20 0.68
▸ ALDH1A1 P00352 5/20 0.68
▸ KDM4E B2RXH2 3/20 0.62
▸ PPARG P37231 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ NCOA3 Q9Y6Q9 1/20 0.62
▸ KLK7 P49862 2/20 0.59
▸ KLK14 Q9P0G3 1/20 0.58
▸ KLK5 Q9Y337 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ PSMD14 O00487 1/20 0.57
▸ RGS12 O14924 1/20 0.57
▸ GMNN O75496 1/20 0.57
▸ EGFR P00533 1/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57

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
SCHEMBL9573610 1.00 KMT2A (0.68) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8996055 0.91 KMT2A (0.64) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8996020 0.85 FTO (0.70) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8996025 0.85 FTO (0.70) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL16160370 0.84 FTO (0.76) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL13412690 0.81 MAPT (0.74) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8995992 0.81 FTO (0.61) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL8995999 0.81 EGFR (0.64) KMT2AMAPTMEN1ALDH1A1KLK7
SCHEMBL8996039 0.80 FTO (0.56) KMT2AMAPTMEN1ALDH1A1KLK7
SCHEMBL8996053 0.78 FTO (0.78) KMT2AMAPTMEN1ALDH1A1KDM4E

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
JP-5301838-A — — None — — JP disclosed
JP-H05301838-A STYRENE DERIVATIVE MITSUBISHI KASEI CORP 1993-11-16 — — JP disclosed
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