SCHEMBL8996241

SCHEMBL8996241

CC(C)Oc1cc(C=C(C#N)C(=O)Nc2cccc(Cl)c2)cc(F)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 2/20 0.58
▸ PKM P14618 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KMT2A Q03164 9/20 0.46
▸ MEN1 O00255 8/20 0.46
▸ POLB P06746 4/20 0.46
▸ PTPN7 P35236 2/20 0.46
▸ PTPN12 Q05209 2/20 0.46
▸ PTPN22 Q9Y2R2 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ SAE1 Q9UBE0 1/20 0.46
▸ UBA2 Q9UBT2 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ ALPG P10696 1/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL8995992 0.90 FTO (0.61) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8996078 0.85 FTO (0.57) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8996015 0.85 FTO (0.74) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8996055 0.80 KMT2A (0.64) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8995999 0.78 EGFR (0.64) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8995993 0.78 FTO (0.76) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8996019 0.78 FTO (0.76) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8996006 0.77 FTO (0.59) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8996010 0.76 FTO (0.73) FTOPKMSMN1; SMN2TP53THRB
SCHEMBL8996090 0.76 FTO (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 — — US disclosed
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