SCHEMBL10690098

SCHEMBL10690098

COc1ccc(-c2nc(C)nc(Cl)c2C)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ DHFR P00374 1/20 0.47
▸ SLC10A2 Q12908 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 2/20 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
SCHEMBL10688710 0.74 ADORA1 (0.52) L3MBTL1MEN1KMT2ADHFRALDH1A1
SCHEMBL10686590 0.73 MEN1 (0.57) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL10686218 0.73 DHFR (0.43) L3MBTL1MEN1KMT2ADHFRSLC10A2
SCHEMBL10682446 0.73 DHFR (0.43) L3MBTL1DHFRSLC10A2ALDH1A1NPC1
SCHEMBL3931265 0.73 KDM4E (0.55) L3MBTL1MEN1KMT2AALDH1A1NPC1
SCHEMBL603548 0.72 KDM4E (0.48) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL6592858 0.71 EGLN1 (0.43) L3MBTL1MEN1KMT2AALDH1A1KDM4E
Dimethylamine SCHEMBL7490478 0.71 POLB (0.44) L3MBTL1MEN1KMT2ADHFRSLC10A2
SCHEMBL16266535 0.70 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AALDH1A1PDE4A
SCHEMBL10689891 0.70 PDE4B (0.51) L3MBTL1ALDH1A1PDE4APDE4BPDE4C

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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