SCHEMBL10682640

SCHEMBL10682640

CCc1nc(-c2ccc(OC)c(OC)c2)cc(=Nc2c(C)cc(C)cc2C)n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPK1 P28482 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TSHR P16473 6/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ABCC4 O15439 1/20 0.39

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
SCHEMBL10682633 1.00 MAPT (0.43) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10685862 0.86 KDM4E (0.43) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10685872 0.86 KDM4E (0.43) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10567390 0.85 KDM4E (0.39) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10567392 0.85 KDM4E (0.39) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10690115 0.84 MEN1 (0.43) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10684453 0.84 MAPT (0.41) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10690121 0.84 MEN1 (0.43) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10684449 0.84 MAPT (0.41) MAPTKDM4EALDH1A1MAPK1HTT
SCHEMBL10684483 0.83 KDM4E (0.43) MAPTKDM4EALDH1A1MAPK1HTT

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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