SCHEMBL10688020

SCHEMBL10688020

COc1ccc(-c2nc(C)n(C)c(=O)c2C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ PDE4A P27815 3/20 0.45
▸ PDE4B Q07343 3/20 0.45
▸ PDE4C Q08493 3/20 0.45
▸ PDE4D Q08499 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 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
SCHEMBL10686873 0.75 TDP2 (0.49) TDP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10689891 0.72 PDE4B (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL15032575 0.70 TDP2 (1.00) TDP2KDM4EALDH1A1HPGDMAPK1
SCHEMBL16266535 0.70 L3MBTL1 (0.53) TDP2KDM4EALDH1A1HPGDMAPK1
SCHEMBL11188283 0.69 AGTR1 (0.53) TDP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10690098 0.69 L3MBTL1 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPK1
Hydrochloric Acid SCHEMBL11577680 0.69 KDM4E (0.47) TDP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11187171 0.69 AGTR1 (0.52) TDP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31276986 0.69 SMN1; SMN2 (0.57) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL14893220 0.69 ADORA2A (0.60) HSD17B10THRBPKMSMN1; SMN2

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-4725600-A Pyrimidine compounds having activity as a cardiotonic anti-hypertensive cerebrovascular vasodilator and anti-platelet aggregation agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 — — US disclosed
EP-0168262-A2 Pyrimidine derivatives, processes for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 — — EP disclosed
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