SCHEMBL9199879

SCHEMBL9199879

COc1ccc(N(C)C(=O)c2c(O)c3cc(SC)ccc3n(C)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ HDAC4 P56524 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ HIF1A Q16665 4/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ PADI4 Q9UM07 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9712311 0.89 MEN1 (0.58) KMT2AMEN1PGRHDAC4TP53
SCHEMBL9287479 0.89 MEN1 (0.58) KMT2AMEN1PGRHDAC4HIF1A
SCHEMBL10679151 0.89 KMT2A (0.60) KMT2AMEN1PGRHDAC4TP53
SCHEMBL9283081 0.88 MEN1 (0.50) KMT2AMEN1PGRHDAC4TP53
SCHEMBL9287942 0.88 MEN1 (0.52) KMT2AMEN1PGRHDAC4HIF1A
SCHEMBL9283154 0.88 MEN1 (0.56) KMT2AMEN1PGRHDAC4HIF1A
SCHEMBL9267977 0.88 MEN1 (0.56) KMT2AMEN1PGRHDAC4HIF1A
SCHEMBL9202310 0.87 MEN1 (0.71) KMT2AMEN1PGRHDAC4TP53
SCHEMBL9275953 0.87 MEN1 (0.55) KMT2AMEN1PGRHDAC4HIF1A
SCHEMBL9287103 0.87 MEN1 (0.57) KMT2AMEN1PGRHDAC4HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639182-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 — — EP disclosed
WO-1992018483-A1 QUINOLINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 — — WO disclosed
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