SCHEMBL8996053

SCHEMBL8996053

COc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 3/20 0.78
▸ EGFR P00533 2/20 0.67
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 7/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MAPK1 P28482 1/20 0.54
▸ PKM P14618 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ THRB P10828 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ BLM P54132 2/20 0.50
▸ PTPN7 P35236 1/20 0.50
▸ PTPN12 Q05209 1/20 0.50
▸ SAE1 Q9UBE0 1/20 0.50
▸ UBA2 Q9UBT2 1/20 0.50
▸ PTPN22 Q9Y2R2 1/20 0.50

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
SCHEMBL16160370 0.89 FTO (0.76) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL8996055 0.88 KMT2A (0.64) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL8996027 0.88 FTO (1.00) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL8995999 0.86 EGFR (0.64) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL8995992 0.86 FTO (0.61) FTOMEN1KMT2AALDH1A1MAPT
SCHEMBL8996039 0.83 FTO (0.56) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL29813596 0.80 EGFR (0.72) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL5819801 0.79 EGFR (0.83) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL29813583 0.79 EGFR (0.73) FTOEGFRMEN1KMT2AALDH1A1
SCHEMBL8996239 0.79 FTO (0.73) FTOEGFRMEN1KMT2AALDH1A1

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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