SCHEMBL22280301

SCHEMBL22280301

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 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
SCHEMBL7890623 0.87 MEN1 (0.43) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL26662231 0.83 PIK3CD (0.36) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL24313491 0.83 PIK3CD (0.36) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL22820158 0.81 CNR2 (0.39) PIK3CDSMN1; SMN2HTTMEN1KMT2A
SCHEMBL6359867 0.81 MMP1 (0.45) SMN1; SMN2HTTHPGDMEN1KMT2A
SCHEMBL13079648 0.81 SMN1; SMN2 (0.38) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL13050659 0.80 PIK3CD (0.34) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL1912569 0.80 PIK3CD (0.34) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL18363115 0.80 HPGD (0.40) PIK3CDSMN1; SMN2HTTHPGDMEN1
SCHEMBL13253317 0.80 MLYCD (0.40) PIK3CDSMN1; SMN2HTTMEN1KMT2A

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed