SCHEMBL29681585

SCHEMBL29681585

COC(=O)c1ccnc2ccc(N3CCC4(CC3)OCCCO4)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MET P08581 1/20 0.41
▸ ALDH1A1 P00352 11/20 0.41
▸ GAA P10253 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MC4R P32245 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL24532865 1.00 MAPT (0.42) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL24532730 0.96 MET (0.44) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL29681579 0.87 LMNA (0.43) SMN1; SMN2MEN1KMT2AMETALDH1A1
SCHEMBL24532812 0.87 LMNA (0.43) SMN1; SMN2MEN1KMT2AMETALDH1A1
SCHEMBL24532477 0.85 MAPT (0.41) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL29681511 0.85 MAPT (0.41) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL24532144 0.85 MAPT (0.44) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL24532139 0.85 IP6K1 (0.47) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL24532853 0.84 MAPT (0.50) MAPTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL24532461 0.84 MAPT (0.41) MAPTSMN1; SMN2NPC1MEN1KMT2A

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-4263535-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES Astrazeneca AB (SE) 2023-10-25 — — EP disclosed
WO-2022130270-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2022-06-23 — — WO disclosed
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