SCHEMBL21392956

SCHEMBL21392956

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CCC(CO)O2)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALB P02768 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ CYP1A2 P05177 1/20 0.47
▸ POLA1 P09884 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ ABL1 P00519 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL1697216 1.00 KDM4E (0.62) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL3484940 1.00 KDM4E (0.62) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL22990581 1.00 KDM4E (0.62) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL21376540 0.93 ALDH1A1 (0.55) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL18963575 0.93 ALDH1A1 (0.55) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL21393208 0.93 KDM4E (0.58) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL21393042 0.92 KDM4E (0.57) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL26196576 0.91 KDM4E (0.57) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL18963691 0.90 KDM4E (0.58) KDM4EALDH1A1LMNAALBMAPK1
SCHEMBL31093232 0.88 KDM4E (0.67) KDM4EALDH1A1LMNAALBMAPK1

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
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