SCHEMBL23213626

SCHEMBL23213626

O=C(O)Nc1cc(Cl)cc(CN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51
RAPGEF3 O95398 2/20 0.51
SMN1; SMN2 Q16637 7/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 4/20 0.48
LMNA P02545 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL23213571 0.82 HIF1A (0.51) RAB9ANPC1HIF1AEPAS1RAPGEF3
SCHEMBL26633260 0.76 CNR2 (0.56) RAB9AALDH1A1POLBNPSR1
SCHEMBL25040117 0.75 SETD2 (0.61) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
SCHEMBL23239918 0.75 HRH3 (0.51) SMN1; SMN2HTTMAPK1LMNAHRH3
SCHEMBL23213610 0.73 CNR2 (0.71) RAB9A
SCHEMBL22206201 0.73 JAK3 (0.48) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
SCHEMBL4915419 0.72 NPC1 (0.78) RAB9ANPC1HIF1AEPAS1SMN1; SMN2
SCHEMBL29796217 0.72 HRH3 (0.51) SMN1; SMN2LMNAHRH3MAPTALDH1A1
SCHEMBL23213253 0.72 HRH3 (0.51) SMN1; SMN2LMNAHRH3MAPTALDH1A1
SCHEMBL12671529 0.72 SMN1; SMN2 (0.50) RAB9ANPC1HIF1AEPAS1SMN1; 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
WO-2021069705-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS (CH) 2021-04-15 WO disclosed