SCHEMBL28720984

SCHEMBL28720984

CC(C)(C)OC(=O)N1CCC(OS(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.65
GPR119 Q8TDV5 6/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
PTPRB P23467 1/20 0.47
PTPN11 Q06124 1/20 0.47
TGFBR1 P36897 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL29637455 0.93 STS (0.60) STSGPR119KDM4EPKMGAA
SCHEMBL29676710 0.93 STS (0.60) STSGPR119KDM4EPKMGAA
SCHEMBL21114942 0.93 STS (0.60) STSGPR119KDM4EPKMGAA
SCHEMBL3413600 0.88 STS (0.56) STSGPR119KDM4EPKMJAK2
SCHEMBL1879011 0.84 STS (0.63) STSGPR119KDM4EPKMGAA
SCHEMBL28978008 0.83 SMN1; SMN2 (0.62) GAASMN1; SMN2MEN1KMT2A
SCHEMBL20137861 0.83 STS (0.68) STSGPR119KDM4EPKMGAA
SCHEMBL26107017 0.83 STS (0.51) STSGPR119KDM4EPKMGAA
SCHEMBL27146441 0.83 STS (0.62) STSGPR119KDM4EPKMTGFBR1
SCHEMBL1875061 0.81 GPR119 (0.56) STSGPR119KDM4EPKMTGFBR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697989-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-02-03 CN disclosed
CN-115626927-A Tropomyosin Receptor Kinase (TRK) degrading compounds and methods of use 上海睿跃生物科技有限公司 2023-01-20 CN disclosed
WO-2022171118-A1 COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2022-08-18 WO disclosed
CN-110312717-B Substituted fused heteroaromatic tricyclic compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2022-04-12 CN disclosed