SCHEMBL10463199

SCHEMBL10463199

CCOC(=O)c1nnn(-c2cccc3cccc(-n4nnc(C(=O)OCC)c4C(=O)OCC)c23)c1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ SLC5A1 P13866 6/20 0.48
▸ SLC5A2 P31639 6/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL10463769 0.88 ALDH1A1 (0.54) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL10463764 0.84 TP53 (0.40) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL17321554 0.72 MAPK1 (0.49) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL17321555 0.72 TP53 (0.71) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL25767433 0.70 TP53 (0.67) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL14511339 0.70 TSHR (0.49) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL10464748 0.69 PDE4B (0.39) TP53ALOX12KMT2AALDH1A1HSD17B10
SCHEMBL15881976 0.69 ALDH1A1 (0.46) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL15897945 0.69 TP53 (0.66) TP53ALOX12SLC5A1SLC5A2KMT2A
SCHEMBL14692205 0.69 TP53 (0.49) TP53ALOX12SLC5A1SLC5A2ALDH1A1

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
US-4959479-A PESTICIDES, DRUGS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) 1990-09-25 — — US disclosed
US-4889937-A MEDICINES, PESTICIDES AND INDUSTRIAL CHEMICALS AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1989-12-26 — — US disclosed
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