SCHEMBL24313491

SCHEMBL24313491

CC(I)NC(=O)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL24313100 0.84 PIK3CD (0.53) PIK3CDMEN1KMT2A
SCHEMBL22280301 0.83 PIK3CD (0.40) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL7890623 0.81 MEN1 (0.43) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL20904149 0.79 PIK3CD (0.32) PIK3CD
SCHEMBL26662231 0.77 PIK3CD (0.36) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL22820158 0.76 CNR2 (0.39) PIK3CDSMN1; SMN2HTTMEN1KMT2A
SCHEMBL6359867 0.76 MMP1 (0.45) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL13079648 0.76 SMN1; SMN2 (0.38) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL19020334 0.75 HPGD (0.34) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL18363115 0.74 HPGD (0.40) PIK3CDSMN1; SMN2HTTHPGDMEN1

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
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed