SCHEMBL29459319

SCHEMBL29459319

CCS(=O)(=O)c1nc2c(ccc3nccnc32)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA4 P22748 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPT P10636 4/20 0.35

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
SCHEMBL32679836 0.72 ALDH1A1 (0.56) KMT2ALMNAKDM4EPKMTDP1
SCHEMBL29459322 0.71 L3MBTL1 (0.36) KMT2ALMNAHIF1ATDP1ALDH1A1
SCHEMBL3595617 0.69 ALDH1A1 (0.67) CA2KMT2ALMNACA1CA4
SCHEMBL30149949 0.69 ALDH1A1 (0.67) CA2KMT2ALMNACA1CA4
SCHEMBL32679833 0.69 RAB9A (0.56) CA2KMT2ALMNACA1CA4
SCHEMBL32679834 0.69 RAB9A (0.56) CA2KMT2ALMNACA1CA4
SCHEMBL23706905 0.69 LMNA (0.35) KMT2ALMNAKDM4ETDP1ALDH1A1
SCHEMBL29459263 0.69 LMNA (0.35) KMT2ALMNAKDM4ETDP1ALDH1A1
SCHEMBL26132956 0.69 LMNA (0.36) KMT2ALMNAKDM4EPKMTDP1
SCHEMBL26462923 0.68 MEN1 (0.32) KMT2ALMNAKDM4EALDH1A1MAPT

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-2022059778-A1 CYCLIC UREA DERIVATIVE カルナバイオサイエンス株式会社 2022-03-24 — — WO disclosed
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