SCHEMBL8467207

SCHEMBL8467207

CCCCCCCC#Cc1cnc(C#Cc2ccc(OCCCCCCCC)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MCHR1 Q99705 1/20 0.44
NR5A1 Q13285 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
LTA4H P09960 3/20 0.40
GBA1 P04062 1/20 0.40
PLA2G4B P0C869 1/20 0.40
ACACB O00763 1/20 0.38

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
SCHEMBL9496057 0.92 KDM4E (0.55) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9495779 0.92 KDM4E (0.55) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9495038 0.92 KDM4E (0.55) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL8846877 0.91 KDM4E (0.43) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9498090 0.90 KDM4E (0.52) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9333498 0.89 NR5A1 (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9335891 0.89 NR5A1 (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9333662 0.89 NR5A1 (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9333035 0.89 NR5A1 (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL9333089 0.89 NR5A1 (0.54) KDM4EALDH1A1HPGDHTTL3MBTL1

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-1996030344-A9 PYRIMIDINE COMPOUNDS 1999-02-11 WO disclosed