SCHEMBL29048239

SCHEMBL29048239

Cc1cnc([C@H]2CCON2C(=O)OC(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 8/20 0.35
RECQL P46063 1/20 0.35
GRM5 P41594 1/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 1/20 0.33
USP30 Q70CQ3 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33

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
SCHEMBL30339230 1.00 KMT2A (0.36) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL25816527 1.00 KMT2A (0.36) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL22210924 1.00 KMT2A (0.36) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL30339025 1.00 KMT2A (0.36) KMT2AMEN1MAPTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL30339099 0.89 MEN1 (0.31) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL25816509 0.84 GPR119 (0.46) GPR119RECQLUSP30
SCHEMBL30547544 0.84 GPR119 (0.46) GPR119RECQLUSP30
SCHEMBL18921388 0.83 RIPK1 (0.35) ALDH1A1LMNA
SCHEMBL29048222 0.83 GPR119 (0.34) TSHRGPR119RECQLGRM5ELANE
SCHEMBL29048248 0.83 DGAT1 (0.39) KMT2AMEN1MAPTTSHRSMN1; SMN2

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-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed