SCHEMBL31205135

SCHEMBL31205135

COc1c(Cl)ccn2ncc(C(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ EPHB3 P54753 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ TPMT P51580 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ PTPN1 P18031 1/20 0.34

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
SCHEMBL25757240 0.87 EPHB3 (0.42) ALDH1A1KDM4EHSD17B10EPHB3GAA
SCHEMBL31205187 0.83 DRD2 (0.48) ALDH1A1TSHRKMT2ALMNAHPGD
SCHEMBL28801140 0.81 EPHB3 (0.43) KDM4EEPHB3NOTUML3MBTL1KMT2A
SCHEMBL31204928 0.76 GAA (0.38) ALDH1A1KDM4EHSD17B10EPHB3GAA
SCHEMBL31205407 0.76 GAA (0.38) ALDH1A1KDM4EHSD17B10EPHB3GAA
SCHEMBL31204952 0.76 SMN1; SMN2 (0.35) ALDH1A1KDM4EHSD17B10L3MBTL1KMT2A
SCHEMBL25757242 0.75 DRD4 (0.39) ALDH1A1KDM4EHSD17B10EPHB3GAA
SCHEMBL28801157 0.74 EPHB3 (0.39) ALDH1A1KDM4EHSD17B10EPHB3L3MBTL1
SCHEMBL25757792 0.74 ATR (0.35) ALDH1A1KDM4EHSD17B10EPHB3KMT2A
SCHEMBL21816279 0.74 IRAK4 (0.47) ALDH1A1KDM4EHSD17B10EPHB3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727941-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2026-04-22 — — EP disclosed
WO-2024255164-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 — — WO disclosed
WO-2024254834-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 — — WO disclosed
WO-2024255885-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-12-19 — — WO disclosed
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