SCHEMBL8996090

SCHEMBL8996090

N#CC(=Cc1cc(O)c(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 3/20 0.73
▸ PKM P14618 2/20 0.61
▸ EGFR P00533 6/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ TP53 P04637 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ ERBB2 P04626 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ PSMD14 O00487 1/20 0.54
▸ RGS12 O14924 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 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
SCHEMBL8995993 0.89 FTO (0.76) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL8996019 0.89 FTO (0.76) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL8996015 0.88 FTO (0.74) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL8996010 0.87 FTO (0.73) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL8995999 0.87 EGFR (0.64) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL9065481 0.84 FTO (0.69) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL8996027 0.84 FTO (1.00) FTOPKMEGFRMEN1ALDH1A1
SCHEMBL8996037 0.84 EGFR (0.76) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL8996033 0.83 FTO (0.61) FTOPKMEGFRSMN1; SMN2TP53
SCHEMBL8995992 0.79 FTO (0.61) FTOPKMSMN1; SMN2TP53THRB

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
Send feedback