SCHEMBL29680917

SCHEMBL29680917

C[C@H]1CN(c2ccc3nccc(C(=O)O)c3c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDPK1 O15530 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.39
GSK3A P49840 1/20 0.39
IDH1 O75874 1/20 0.39
SYK P43405 4/20 0.39
SLC16A3 O15427 1/20 0.38
ATR Q13535 2/20 0.38
ATRIP Q8WXE1 2/20 0.38
MAPT P10636 2/20 0.38
GSK3B P49841 2/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38

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
SCHEMBL24532305 1.00 LMNA (0.45) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL24532414 1.00 LMNA (0.45) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL29681601 1.00 LMNA (0.45) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL24532297 1.00 LMNA (0.45) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL24532371 0.94 LMNA (0.44) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL24532367 0.94 LMNA (0.44) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL29681078 0.94 LMNA (0.44) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL24532150 0.91 LMNA (0.45) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL24532224 0.91 LMNA (0.45) LMNAKDM4EMEN1ALDH1A1POLB
SCHEMBL24532227 0.91 LMNA (0.45) LMNAKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263535-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES Astrazeneca AB (SE) 2023-10-25 EP disclosed
CN-116745291-A N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide 阿斯利康(瑞典)有限公司 2023-09-12 CN disclosed
WO-2022130270-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2022-06-23 WO disclosed