SCHEMBL31025966

SCHEMBL31025966

CCOC(=O)c1cc2ccc(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.40
PTPN2 P17706 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
RORC P51449 1/20 0.37
ADORA1 P30542 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
GPR119 Q8TDV5 4/20 0.35

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
SCHEMBL30492841 1.00 ACKR3 (0.40) ACKR3PTPN2EGLN2GAAALDH1A1
SCHEMBL25810667 0.92 ACKR3 (0.41) ACKR3PTPN2GAAALDH1A1LMNA
SCHEMBL30492870 0.88 ACKR3 (0.41) ACKR3EGLN2ALDH1A1LMNACYP2C9
SCHEMBL25810786 0.88 ACKR3 (0.41) ACKR3EGLN2ALDH1A1LMNACYP2C9
SCHEMBL25260268 0.87 MAPT (0.49) ACKR3GAAALDH1A1LMNAMEN1
SCHEMBL30492859 0.87 MAPT (0.49) ACKR3GAAALDH1A1LMNAMEN1
SCHEMBL31025974 0.83 PTPN2 (0.40) PTPN2GAAALDH1A1MEN1KMT2A
SCHEMBL25296886 0.83 PTPN2 (0.40) PTPN2GAAALDH1A1MEN1KMT2A
SCHEMBL25301130 0.82 PTPN2 (0.42) PTPN2GAAALDH1A1MEN1KMT2A
SCHEMBL30492853 0.82 PTPN2 (0.42) PTPN2GAAALDH1A1MEN1KMT2A

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
CN-118488951-A Fused bicyclic heteroaryl amide compounds as inhibitors of protein aggregation 上海京新生物医药有限公司 2024-08-13 CN disclosed