SCHEMBL21392996

SCHEMBL21392996

CC(C)C(=O)Nc1nc2c(ncn2[C@]2(C)O[C@H](CO)C[C@H]2O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
POLA1 P09884 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 1/20 0.32
GAA P10253 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
SCHEMBL6365760 0.84 KDM4E (0.51) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL4370992 0.81 ADORA3 (0.46) MEN1TSHRKMT2AALDH1A1
SCHEMBL25968172 0.78 KDM4E (0.52) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL24222098 0.77 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL22883498 0.77 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL28719205 0.77 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL19146280 0.77 KDM4E (0.59) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL20782390 0.76 KDM4E (0.58) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL21637043 0.76 KDM4E (0.58) KDM4ETAS1R3TAS1R1POLA1MEN1
SCHEMBL21376544 0.76 KDM4E (0.58) KDM4ETAS1R3TAS1R1POLA1MEN1

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
EP-4242212-A2 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2023-09-13 EP disclosed
WO-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 WO disclosed