SCHEMBL25770784

SCHEMBL25770784

CC(C)(C)OC(=O)N1CC(=C2CN(OC(=O)c3ccccc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NAMPT P43490 3/20 0.42
USP30 Q70CQ3 3/20 0.41
RORC P51449 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NR1H2 P55055 1/20 0.39
ABCB1 P08183 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
SCHEMBL8695092 0.83 KDM4E (0.52) KDM4EPKMGPR119USP30MEN1
SCHEMBL10128539 0.80 USP2 (0.40) GPR119MAPK1NAMPTRORCNR1H2
SCHEMBL2292608 0.77 USP2 (0.52) GPR119MAPK1NAMPTMEN1KMT2A
SCHEMBL26427290 0.76 KDM4E (0.46) KDM4EPKMGPR119NAMPTUSP30
SCHEMBL27688065 0.75 MAPK1 (0.45) KDM4EPKMGPR119MAPK1ALDH1A1
SCHEMBL27952715 0.75 SMARCA2 (0.48) KDM4EPKMGPR119USP30MEN1
SCHEMBL25717306 0.75 KDM4E (0.50) KDM4EPKMGPR119ALDH1A1USP30
SCHEMBL23830485 0.74 KDM4E (0.48) KDM4EPKMGPR119MAPK1NAMPT
SCHEMBL24718695 0.74 USP30 (0.47) KDM4EPKMGPR119USP30MEN1
SCHEMBL25628792 0.74 KDM4E (0.52) KDM4EPKMGPR119ALDH1A1USP30

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-2023116774-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE 赛诺哈勃药业(成都)有限公司 2023-06-29 WO disclosed