SCHEMBL22115170

SCHEMBL22115170

CC(C)(C)OC(=O)N1CC(C(=O)NSCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.51
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
TACR1 P25103 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
USP30 Q70CQ3 3/20 0.43
RORC P51449 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL22115696 0.91 STS (0.58) STSGAATHRBSMN1; SMN2GPR119
SCHEMBL22115157 0.89 STS (0.64) STSGAATHRBSMN1; SMN2GPR119
SCHEMBL4921942 0.81 TACR1 (0.56) STSGAASMN1; SMN2NAMPTTACR1
SCHEMBL21641290 0.80 STS (0.52) STSSMN1; SMN2NAMPTTACR1GPR119
SCHEMBL22115171 0.78 STS (0.60) STSSMN1; SMN2HTTPTPN2PTPN1
SCHEMBL3328561 0.78 STS (0.81) STSNAMPTTACR1GPR119JAK2
SCHEMBL22557605 0.77 GPR119 (0.51) STSGAATHRBSMN1; SMN2NAMPT
SCHEMBL5870903 0.77 PTPN2 (0.62) STSGAASMN1; SMN2NAMPTGPR119
SCHEMBL22115652 0.77 STS (0.53) STSTACR1GPR119KDM4EPKM
SCHEMBL17874004 0.75 HPGD (0.54) STSSMN1; SMN2NAMPTGPR119JAK2

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-2020119590-A1 3-CYANOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USES THEREOF. 中国科学院上海药物研究所 2020-06-18 WO disclosed