SCHEMBL7264952

SCHEMBL7264952

COc1ccccc1CN1CC(O)=CC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ COMT P21964 1/20 0.47
▸ BRD4 O60885 1/20 0.45
▸ ADORA2A P29274 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ MIF P14174 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44

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
SCHEMBL7264960 0.77 ALDH1A1 (0.53) HSD17B10COMTKDM4EALDH1A1SMN1; SMN2
SCHEMBL7209206 0.74 ACHE (0.60) MEN1KMT2AUSP2HSD17B10
SCHEMBL10559750 0.73 MEN1 (0.54) MEN1KMT2AUSP2HSD17B10COMT
SCHEMBL21723493 0.72 DRD2 (0.54) MEN1KMT2AUSP2HSD17B10KDM4E
SCHEMBL20169545 0.72 USP2 (0.53) MEN1KMT2AUSP2HSD17B10BRD4
SCHEMBL4002090 0.72 MEN1 (0.66) MEN1KMT2AUSP2HSD17B10KDM4E
SCHEMBL7484195 0.72 ACHE (0.68) MEN1KMT2A
SCHEMBL29585298 0.71 PTGS1 (0.61) MEN1KMT2AUSP2HSD17B10KDM4E
SCHEMBL7218634 0.71 PTGS1 (0.61) MEN1KMT2AUSP2HSD17B10KDM4E
SCHEMBL5536939 0.71 MEN1 (0.48) MEN1KMT2AUSP2HSD17B10ADORA2A

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
WO-2003099801-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 — — WO claimed
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