SCHEMBL29532645

SCHEMBL29532645

O=C(NCCOc1cccc(Cl)c1)C1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
EPHX2 P34913 1/20 0.56
FKBP1A P62942 1/20 0.55
MAPT P10636 2/20 0.52
ENPP2 Q13822 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
ATM Q13315 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
SCHEMBL29532316 0.91 SMN1; SMN2 (0.62) SMN1; SMN2PKMNPC1RAB9AEPHX2
SCHEMBL29532260 0.87 NPC1 (0.62) SMN1; SMN2PKMNPC1RAB9AEPHX2
SCHEMBL19705237 0.86 SMN1; SMN2 (0.67) SMN1; SMN2PKMNPC1RAB9AEPHX2
SCHEMBL29532384 0.85 SMN1; SMN2 (0.52) SMN1; SMN2PKMNPC1RAB9AEPHX2
SCHEMBL29532540 0.82 RAB9A (0.59) SMN1; SMN2PKMNPC1RAB9AEPHX2
SCHEMBL20989201 0.79 SMN1; SMN2 (0.53) SMN1; SMN2FKBP1AMAPTENPP2L3MBTL1
SCHEMBL20989092 0.79 MEN1 (0.56) SMN1; SMN2PKMNPC1RAB9AEPHX2
SCHEMBL19692617 0.78 KMT2A (0.59) SMN1; SMN2PKMNPC1RAB9AEPHX2
SCHEMBL20989310 0.77 L3MBTL1 (0.50) SMN1; SMN2FKBP1AMAPTL3MBTL1KMT2A
SCHEMBL20989077 0.76 MEN1 (0.58) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468960-B1 CHEMICAL COMPOUNDS AS ATF4 PATHWAY INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-03-23 EP claimed
EP-3468960-B1 CHEMICAL COMPOUNDS AS ATF4 PATHWAY INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-03-23 EP disclosed