SCHEMBL28888014

SCHEMBL28888014

CC(C)(C)OC(=O)N(Cl)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
NAMPT P43490 2/20 0.41
GPR119 Q8TDV5 2/20 0.39
KCNA5 P22460 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 5/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.37
RIPK1 Q13546 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9571667 0.84 RAB9A (0.45) RAB9ANAMPTGPR119NOTUMALDH1A1
SCHEMBL31554105 0.83 NOTUM (0.48) RAB9ANAMPTGPR119NOTUMALDH1A1
SCHEMBL479924 0.83 NOTUM (0.48) RAB9ANAMPTGPR119NOTUMALDH1A1
SCHEMBL1760110 0.82 RAB9A (0.43) RAB9ANAMPTGPR119KCNA5NOTUM
SCHEMBL9571669 0.81 RAB9A (0.42) RAB9ANAMPTGPR119KCNA5NOTUM
SCHEMBL1529415 0.81 PTGIR (0.49) RAB9ANAMPTGPR119KCNA5NOTUM
SCHEMBL28609083 0.79 HTT (0.51) RAB9ANAMPTGPR119KCNA5NOTUM
SCHEMBL28387858 0.78 RAB9A (0.34) RAB9ANAMPTGPR119
SCHEMBL30665133 0.77 GPR119 (0.45) RAB9ANAMPTGPR119CYP3A4
SCHEMBL6615498 0.77 HTT (0.43) RAB9ANAMPTGPR119KCNA5NOTUM

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
CN-111094267-B Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2022-06-14 CN disclosed
CN-111094267-A Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2020-05-01 CN disclosed