SCHEMBL8996055

SCHEMBL8996055

COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ MAPT P10636 4/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ FTO Q9C0B1 1/20 0.61
▸ PKM P14618 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ PTPN7 P35236 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PTPN12 Q05209 1/20 0.54
▸ SAE1 Q9UBE0 1/20 0.54
▸ UBA2 Q9UBT2 1/20 0.54
▸ PTPN22 Q9Y2R2 1/20 0.54

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
SCHEMBL9573606 0.91 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL9573610 0.91 KMT2A (0.68) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8995992 0.90 FTO (0.61) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8995999 0.90 EGFR (0.64) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8996039 0.89 FTO (0.56) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8996053 0.88 FTO (0.78) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8995993 0.86 FTO (0.76) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8996019 0.86 FTO (0.76) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8996241 0.80 FTO (0.58) KMT2AMEN1MAPTALDH1A1FTO
SCHEMBL8996015 0.79 FTO (0.74) KMT2AMEN1MAPTALDH1A1FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 — — EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 — — US disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 — — EP disclosed
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