SCHEMBL29241233

SCHEMBL29241233

O=C(O)c1ccc2nc(CC3CCO3)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.60
▸ APEX1 P27695 1/20 0.57
▸ TOP2A P11388 1/20 0.53
▸ LGALS8 O00214 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR4A2 P43354 1/20 0.44
▸ CHEK2 O96017 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ PRSS1 P07477 2/20 0.42
▸ TPSAB1 Q15661 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLG P00747 1/20 0.42

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
SCHEMBL25434643 1.00 NPSR1 (0.60) NPSR1APEX1TOP2ALGALS8ALDH1A1
SCHEMBL28057569 0.94 NPSR1 (0.56) NPSR1APEX1TOP2ALGALS8ALDH1A1
SCHEMBL29491599 0.90 NPSR1 (0.47) NPSR1APEX1TOP2ALGALS8ALDH1A1
SCHEMBL25435624 0.86 ALDH1A1 (0.51) NPSR1APEX1LGALS8ALDH1A1MAPK1
SCHEMBL13544348 0.77 NPSR1 (0.97) NPSR1APEX1TOP2ALGALS8ALDH1A1
SCHEMBL29262338 0.76 MAPT (0.47) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL29924789 0.76 HTT (0.36) NPSR1LGALS8ALDH1A1TDP1SMN1; SMN2
SCHEMBL30487057 0.76 HTT (0.36) NPSR1LGALS8ALDH1A1TDP1SMN1; SMN2
SCHEMBL5396738 0.76 NPSR1 (0.73) NPSR1APEX1TOP2ALGALS8ALDH1A1
SCHEMBL30174410 0.74 GABRA1 (0.41) LGALS8ALDH1A1MAPK1SMN1; SMN2HTR2B

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-4069686-B1 GLP-1 RECEPTOR AGONIST HYUNDAI PHARM CO LTD (KR) 2025-01-22 — — EP disclosed
CN-115515956-B Benzimidazole derivative, and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-06-25 — — CN disclosed
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