SCHEMBL29532260

SCHEMBL29532260

O=C(NCCCOc1ccccc1)C1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
PKM P14618 1/20 0.62
EPHX2 P34913 1/20 0.62
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 3/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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 0.90 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL29532645 0.87 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL20989092 0.86 MEN1 (0.56) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL19705237 0.85 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL29532384 0.84 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL20989077 0.83 MEN1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23975373 0.82 SMN1; SMN2 (0.89) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL20989192 0.82 RECQL (0.58) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL29532540 0.81 RAB9A (0.59) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL20989104 0.80 MEN1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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