SCHEMBL29619023

SCHEMBL29619023

COc1ccc(NC(=O)C2CC2)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HPGD P15428 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MALT1 Q9UDY8 2/20 0.53
▸ ACHE P22303 1/20 0.53
▸ BACE1 P56817 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NAMPT P43490 1/20 0.51
▸ MTNR1A P48039 2/20 0.51
▸ MTNR1B P49286 2/20 0.51
▸ GRM4 Q14833 1/20 0.51

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
SCHEMBL29130900 0.88 POLB (0.64) POLBSMN1; SMN2LMNAHPGDHTT
SCHEMBL31184625 0.85 POLB (0.49) POLBSMN1; SMN2LMNAHPGDHTT
SCHEMBL22000031 0.82 POLB (0.64) POLBSMN1; SMN2LMNAHPGDHTT
SCHEMBL23033513 0.81 POLB (0.62) POLBSMN1; SMN2LMNAHPGDHTT
SCHEMBL2348940 0.80 MEN1 (0.63) SMN1; SMN2LMNAHPGDHTTMEN1
SCHEMBL3997305 0.80 LMNA (0.66) POLBSMN1; SMN2LMNAHTTMEN1
SCHEMBL30355120 0.80 LMNA (0.66) POLBSMN1; SMN2LMNAHTTMEN1
SCHEMBL4242416 0.78 POLB (0.62) POLBSMN1; SMN2HPGDMALT1ACHE
SCHEMBL8901878 0.78 POLB (0.62) POLBSMN1; SMN2HPGDMALT1ACHE
SCHEMBL30870166 0.77 POLB (0.64) POLBSMN1; SMN2LMNAHPGDALDH1A1

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-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 — — EP disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 — — WO disclosed
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