SCHEMBL20458205

SCHEMBL20458205

CC(C)(C)OC(=O)N1CC[C@H]1C(O)Nc1nc2c(F)cccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
GAA P10253 9/20 0.41
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PRNP P04156 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL20458171 0.85 L3MBTL1 (0.48) RAB9ANPC1GAAMAPTMEN1
SCHEMBL9892842 0.82 NPC1 (0.61) RAB9ANPC1GAAMAPTTP53
SCHEMBL13257161 0.78 L3MBTL1 (0.61) RAB9ANPC1MAPTTP53KDM4E
SCHEMBL20458169 0.78 L3MBTL1 (0.45) MAPTKDM4EKMT2AALDH1A1L3MBTL1
SCHEMBL16237604 0.78 L3MBTL1 (0.61) RAB9ANPC1MAPTTP53KDM4E
SCHEMBL20458149 0.75 ALDH1A1 (0.46) GAAMAPTALDH1A1HPGD
SCHEMBL20458202 0.73 ATAD2 (0.47) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL20458229 0.72 CNR2 (0.39) NPC1L3MBTL1
SCHEMBL31053378 0.70 NR1H3 (0.42) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20458248 0.70 NR1H2 (0.41) RAB9ANPC1MAPTMEN1KMT2A

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-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed