SCHEMBL28264102

SCHEMBL28264102

CC(C)(C)C(=O)ON1CCC(C(=O)Nc2ccc(CN)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
PTPN6 P29350 1/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.48
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
POLB P06746 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL28033000 0.84 L3MBTL1 (0.60) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL28822397 0.84 PTPN1 (0.55) PTPN1PTPN2PTPN6KMT2AMEN1
SCHEMBL28092176 0.84 GLA (0.58) PTPN1PTPN2PTPN6KMT2AMEN1
SCHEMBL28033418 0.83 HTT (0.62) PTPN1PTPN2PTPN6TSHRNPSR1
SCHEMBL28033057 0.80 ACHE (0.53) PTPN1PTPN2PTPN6KMT2AMEN1
SCHEMBL30182449 0.79 KMT2A (0.74) PTPN1KMT2AMEN1GAATSHR
SCHEMBL30182461 0.79 KMT2A (0.74) PTPN1KMT2AMEN1GAATSHR
SCHEMBL2579208 0.79 KMT2A (0.74) PTPN1KMT2AMEN1GAATSHR
SCHEMBL28262980 0.78 PDK2 (0.44) KMT2ALMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL28819304 0.74 RHOC (0.48) PTPN1PTPN2PTPN6KMT2AMEN1

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-109071490-A Acyclic derivatives 默克专利股份公司 2018-12-21 CN disclosed