SCHEMBL29680913

SCHEMBL29680913

COC(=O)c1ccnc2ccc(Br)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
NR4A2 P43354 1/20 0.51
LMNA P02545 1/20 0.51
SLC22A12 Q96S37 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
RIPK2 O43353 1/20 0.47
STK16 O75716 1/20 0.47
ABL1 P00519 1/20 0.47
ACVR1 Q04771 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
COQ8A Q8NI60 1/20 0.47
NLK Q9UBE8 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PSMD14 O00487 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL20074656 1.00 L3MBTL1 (0.62) L3MBTL1TSHRHTTNR4A2LMNA
Hydrochloric Acid SCHEMBL29681190 0.98 L3MBTL1 (0.60) L3MBTL1TSHRHTTNR4A2LMNA
Hydrochloric Acid SCHEMBL29090984 0.98 L3MBTL1 (0.60) L3MBTL1TSHRHTTNR4A2LMNA
SCHEMBL30717956 0.88 L3MBTL1 (0.51) L3MBTL1TSHRHTTNR4A2LMNA
SCHEMBL1998421 0.88 L3MBTL1 (0.51) L3MBTL1TSHRHTTNR4A2LMNA
SCHEMBL7365268 0.84 ALDH1A1 (0.66) L3MBTL1TSHRHTTLMNASLC22A12
SCHEMBL21247101 0.84 TSHR (0.46) L3MBTL1TSHRHTTLMNASLC22A12
SCHEMBL31510551 0.84 ALDH1A1 (0.66) L3MBTL1TSHRHTTLMNASLC22A12
SCHEMBL24728976 0.83 LMNA (0.52) L3MBTL1TSHRHTTLMNAKDM4E
SCHEMBL22492429 0.83 LMNA (0.52) L3MBTL1HTTNR4A2LMNASLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106939-A1 CONJUGATES TARGETING FIBROBLAST ACTIVATION PROTEIN AND USES THEREOF Praxis Biotech LLC (US) 2025-05-22 WO disclosed
EP-4543878-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES Astrazeneca AB (SE) 2025-04-30 EP disclosed
WO-2023247489-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2023-12-28 WO disclosed
EP-4263535-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES Astrazeneca AB (SE) 2023-10-25 EP disclosed
WO-2023161879-A1 CYTOTOXICITY TARGETING CHIMERAS FOR FIBROBLAST ACTIVATION PROTEIN-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2022130270-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2022-06-23 WO disclosed