SCHEMBL8996038

SCHEMBL8996038

N#CC(=Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.77
▸ ERBB2 P04626 5/20 0.77
▸ MEN1 O00255 4/20 0.77
▸ KMT2A Q03164 4/20 0.77
▸ ALDH1A1 P00352 3/20 0.77
▸ MAPT P10636 3/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ KDM4E B2RXH2 2/20 0.77
▸ LMNA P02545 2/20 0.77
▸ TP53 P04637 2/20 0.77
▸ CYP3A4 P08684 2/20 0.77
▸ HPGD P15428 2/20 0.77
▸ ALOX15 P16050 2/20 0.77
▸ ALOX12 P18054 2/20 0.77
▸ NFKB1 P19838 2/20 0.77
▸ BLM P54132 2/20 0.77
▸ PMP22 Q01453 2/20 0.77
▸ SMN1; SMN2 Q16637 2/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ TDP1 Q9NUW8 2/20 0.77

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
SCHEMBL8996081 0.87 EGFR (0.77) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL28558448 0.87 EGFR (0.77) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL28558447 0.87 EGFR (0.77) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL29766990 0.87 EGFR (1.00) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL1704988 0.87 EGFR (1.00) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL30555674 0.87 EGFR (1.00) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL5909179 0.87 EGFR (1.00) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL8996037 0.86 EGFR (0.76) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL28552134 0.81 EGFR (0.67) EGFRERBB2MEN1KMT2AALDH1A1
SCHEMBL8995995 0.79 EGFR (0.76) EGFRERBB2MEN1KMT2AALDH1A1

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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