SCHEMBL29683523

SCHEMBL29683523

O=C(c1ccco1)N1CCCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.72
▸ HTT P42858 1/20 0.68
▸ MAPT P10636 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ PDE4B Q07343 1/20 0.54
▸ PDE4D Q08499 1/20 0.54

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
SCHEMBL28771961 1.00 NR3C1 (0.72) NR3C1HTTMAPTPOLBPDE4B
SCHEMBL28772156 0.85 NR3C1 (1.00) NR3C1
SCHEMBL29683571 0.81 HTT (0.74) NR3C1HTT
SCHEMBL28771879 0.81 HTT (0.74) NR3C1HTT
SCHEMBL12476846 0.75 CA12 (0.52) NR3C1HTTMAPTPOLBPDE4B
SCHEMBL13317270 0.73 HTT (0.61) NR3C1HTT
SCHEMBL3620178 0.73 HTT (0.61) NR3C1HTT
SCHEMBL28771908 0.72 NR3C1 (0.84) NR3C1HTT
SCHEMBL28771855 0.72 NR3C1 (0.84) NR3C1HTT
SCHEMBL29684069 0.72 NR3C1 (0.84) NR3C1HTT

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
CN-114699412-A Sulfonamide compound and application thereof in preparation of medicine for treating autoimmune diseases 浙江大学 2022-07-05 — — CN disclosed
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