SCHEMBL8995995

SCHEMBL8995995

Cc1cccc(NC(=O)C(C#N)=Cc2ccc(O)c(O)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.76
▸ ERBB2 P04626 6/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ MAPK1 P28482 4/20 0.76
▸ MAPT P10636 4/20 0.76
▸ MEN1 O00255 4/20 0.76
▸ KMT2A Q03164 4/20 0.76
▸ KDM4E B2RXH2 3/20 0.76
▸ TP53 P04637 3/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ HPGD P15428 2/20 0.76
▸ ALOX15 P16050 2/20 0.76
▸ ALOX12 P18054 2/20 0.76
▸ NFKB1 P19838 2/20 0.76
▸ BLM P54132 2/20 0.76
▸ PMP22 Q01453 2/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ TDP1 Q9NUW8 2/20 0.76

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
SCHEMBL30555674 0.86 EGFR (1.00) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL29766990 0.86 EGFR (1.00) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL5909179 0.86 EGFR (1.00) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL1704988 0.86 EGFR (1.00) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL8996037 0.86 EGFR (0.76) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL8996074 0.86 EGFR (0.76) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL24386311 0.84 SMN1; SMN2 (0.63) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL8715007 0.83 ERBB2 (1.00) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL8996081 0.79 EGFR (0.77) EGFRERBB2SMN1; SMN2MAPK1MAPT
SCHEMBL28558447 0.79 EGFR (0.77) EGFRERBB2SMN1; SMN2MAPK1MAPT

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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