SCHEMBL29019950

SCHEMBL29019950

O=C(O)c1ccc(-c2cc(C(=O)O)n[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CSNK2A2 P19784 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ HCAR2 Q8TDS4 5/20 0.47
▸ DAO P14920 1/20 0.47
▸ MAP2K4 P45985 4/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ MAPK6 Q16659 2/20 0.44
▸ MAPKAPK3 Q16644 1/20 0.44
▸ CYTH3 O43739 1/20 0.43
▸ BTK Q06187 1/20 0.43
▸ EPN1 Q9Y6I3 1/20 0.43
▸ HCAR3 P49019 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL70360 0.87 CA12 (0.53) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL69492 0.85 MEN1 (0.58) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413913 0.84 NPC1 (0.55) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413865 0.84 ALPL (0.53) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413926 0.84 MEN1 (0.54) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL1413993 0.84 HCAR2 (0.55) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL19996893 0.84 MEN1 (0.50) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL70800 0.84 RAB9A (0.55) MEN1KMT2APOLBMAPTHCAR2
Hydrochloric Acid SCHEMBL1221862 0.84 MEN1 (0.57) MEN1KMT2APOLBMAPTHCAR2
SCHEMBL3519352 0.82 MEN1 (0.55) MEN1KMT2APOLBMAPTHCAR2

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
CN-115340680-B Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2023-05-12 — — CN claimed
CN-115340680-A Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2022-11-15 — — CN claimed
CN-115340680-B Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2023-05-12 — — CN disclosed
CN-115340680-B Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2023-05-12 — — CN disclosed
CN-115340680-A Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2022-11-15 — — CN disclosed
CN-115340680-A Zinc coordination polymer based on pyrazole carboxylic acid ligand, preparation method and application 东南大学 2022-11-15 — — CN disclosed
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