SCHEMBL29619075

SCHEMBL29619075

Cc1noc(C)c1-c1cc(N)ccc1OCCO

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.45
CREBBP Q92793 5/20 0.45
ATAD2 Q6PL18 1/20 0.41
BRD2 P25440 6/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MAP4K4 O95819 1/20 0.39
FFAR1 O14842 1/20 0.38
AR P10275 1/20 0.38
BRD3 Q15059 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL31677882 0.81 PTGDR2 (0.43) PTGDR2MAP4K4
SCHEMBL24398370 0.81 BRD4 (0.47) BRD4BRD2BRD3
SCHEMBL1906132 0.81 BRD4 (0.48) BRD4ATAD2BRD2FFAR1BRD3
SCHEMBL1907803 0.81 BRD4 (0.48) BRD4ATAD2BRD2FFAR1BRD3
SCHEMBL16619524 0.81 ATAD2 (0.46) BRD4ATAD2BRD2PTGDR2FFAR1
SCHEMBL24398702 0.80 MEN1 (0.46) BRD4CREBBPPTGDR2
SCHEMBL29619095 0.80 MEN1 (0.46) BRD4CREBBPPTGDR2
SCHEMBL17467705 0.80 MAP4K4 (0.40) BRD4CREBBPATAD2BRD2MAP4K4
SCHEMBL29619004 0.79 BRD4 (0.49) BRD4CREBBPBRD2BRD3
SCHEMBL29619091 0.76 GABRA5 (0.46) BRD4CREBBP

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