SCHEMBL28677461

SCHEMBL28677461

CC[C@](C)(OC(=O)N1CCCC1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL16263321 0.78 HPGD (0.47) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL1848025 0.78 HPGD (0.47) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL879540 0.77 HPGD (0.50) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL879545 0.77 HPGD (0.50) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL4718747 0.77 HPGD (0.46) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL8736286 0.76 HPGD (0.45) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL3415092 0.75 HPGD (0.49) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL8736324 0.74 HPGD (0.47) HPGDSMN1; SMN2USP2MEN1KMT2A
Butane SCHEMBL28323353 0.74 HPGD (0.60) HPGDSMN1; SMN2USP2MEN1KMT2A
SCHEMBL20221455 0.74 HPGD (0.44) HPGDSMN1; SMN2USP2MEN1KMT2A

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-110177786-B Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2021-12-14 CN disclosed