SCHEMBL31013100

SCHEMBL31013100

N=C(NNC(=O)c1ccco1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.56
▸ NPC1 O15118 7/20 0.56
▸ RAB9A P51151 7/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ PKM P14618 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ HTT P42858 2/20 0.51
▸ THRB P10828 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ ADORA2A P29274 1/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48

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
SCHEMBL11379700 0.76 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP1A2PKM
SCHEMBL29411650 0.75 NPC1 (0.68) SMN1; SMN2NPC1RAB9ACYP1A2PKM
SCHEMBL14624343 0.74 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP1A2PKM
2-Picolinic Acid SCHEMBL11829119 0.73 LMNA (0.67) SMN1; SMN2NPC1RAB9ACYP1A2PKM
SCHEMBL28092518 0.73 NPC1 (0.81) SMN1; SMN2NPC1RAB9ACYP1A2PKM
SCHEMBL21833012 0.72 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL2807153 0.72 RAB9A (1.00) SMN1; SMN2NPC1RAB9ACYP1A2PKM
SCHEMBL1147702 0.71 KDM4E (0.73) SMN1; SMN2NPC1RAB9APKMKDM4E
SCHEMBL15968945 0.71 CTNNB1 (0.54) SMN1; SMN2NPC1RAB9ACYP1A2PKM
SCHEMBL11829134 0.71 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP1A2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655401-A1 TREATMENT OF STROKE WITH 1,4-ALPHA-GLUCAN-BRANCHING ENZYME (GBE1) INHIBITORS Regeneron Pharmaceuticals, Inc. (US) 2025-12-03 — — EP disclosed
WO-2024158888-A1 TREATMENT OF STROKE WITH 1,4-ALPHA-GLUCAN-BRANCHING ENZYME (GBE1) INHIBITORS REGENERON PHARMACEUTICALS, INC. (US) 2024-08-02 — — WO disclosed
US-20240247267-A1 Treatment Of Stroke With 1,4-Alpha-Glucan-Branching Enzyme (GBE1) Inhibitors REGENERON PHARMA (US) 2024-07-25 — — US disclosed
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