SCHEMBL23486647

SCHEMBL23486647

COC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
LNPEP Q9UIQ6 2/20 0.52
ERAP2 Q6P179 1/20 0.52
AAK1 Q2M2I8 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
AKT1 P31749 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.46
CIT O14578 1/20 0.46
TSHR P16473 1/20 0.46
ROCK2 O75116 1/20 0.46

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
Hydrochloric Acid SCHEMBL23466380 0.99 NAMPT (0.54) NAMPTALDH1A1KDM4ELNPEPERAP2
Hydrochloric Acid SCHEMBL23466378 0.99 NAMPT (0.54) NAMPTALDH1A1KDM4ELNPEPERAP2
SCHEMBL20379504 0.89 NAMPT (0.63) NAMPTALDH1A1KDM4EAAK1L3MBTL1
SCHEMBL23466750 0.87 RAB9A (0.60) ALDH1A1LNPEPERAP2L3MBTL1KMT2A
SCHEMBL23466751 0.87 RAB9A (0.60) ALDH1A1LNPEPERAP2L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL29758042 0.86 RAB9A (0.59) ALDH1A1LNPEPERAP2L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL23466529 0.84 NAMPT (0.56) NAMPTLNPEPERAP2AAK1AKT1
Hydrochloric Acid SCHEMBL23466531 0.84 NAMPT (0.56) NAMPTLNPEPERAP2AAK1AKT1
SCHEMBL7035589 0.84 GPR142 (0.57) NAMPTAAK1L3MBTL1KMT2AMEN1
SCHEMBL6286555 0.81 AAK1 (0.52) AAK1AKT1CITTSHRROCK2

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-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed