SCHEMBL23699642

SCHEMBL23699642

CC(Br)c1c(C#N)cccc1Oc1ccc(C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 6/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ LPAR5 Q9H1C0 1/20 0.36
▸ HCAR3 P49019 1/20 0.36

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
SCHEMBL19808820 0.89 MAPK1 (0.39) HRH3ALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL4250116 0.73 MAPT (0.54) MAPTHRH3ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL19808815 0.73 HRH3 (0.47) HRH3L3MBTL1MAPK1SMN1; SMN2
SCHEMBL13875913 0.71 NPC1 (0.43) HRH3ALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL19808881 0.71 GABRA5 (0.42) XDHHRH3ALDH1A1L3MBTL1MAPK1
SCHEMBL19808807 0.71 LMNA (0.41) MAPTHRH3L3MBTL1MAPK1
SCHEMBL4255464 0.71 MAPT (0.54) MAPTL3MBTL1SMN1; SMN2LPAR1LPAR5
SCHEMBL3112611 0.70 NOTUM (0.40) XDHMAPTALDH1A1HPGDL3MBTL1
SCHEMBL18609606 0.70 HTT (0.51) MAPTALDH1A1L3MBTL1
SCHEMBL19808874 0.70 MAPT (0.47) MAPTHRH3L3MBTL1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275881-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYLOXY OR HETEROOXY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2021-08-04 — — EP disclosed
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