SCHEMBL29658663

SCHEMBL29658663

CCc1c(C#N)c(S)nc(N2CCC3(CCO3)C2)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.36
ALDH1A1 P00352 9/20 0.36
HPGD P15428 7/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KHK P50053 4/20 0.32
PRKCH P24723 2/20 0.31
PRKCQ Q04759 2/20 0.31
MAP4K1 Q92918 2/20 0.31
LRRK2 Q5S007 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
DNMT1 P26358 1/20 0.31

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
SCHEMBL19734683 1.00 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL29658504 0.86 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL19716407 0.86 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL19734698 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL19734832 0.77 ALDH1A1 (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL19734688 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL19716748 0.76 DNMT1 (0.36) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL19717597 0.74 DNMT1 (0.38) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL19734994 0.72 DNMT1 (0.53) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL19716665 0.72 DNMT1 (0.70) DNMT1

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
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed