SCHEMBL29562072

SCHEMBL29562072

Cc1c(Oc2cccc(N)c2F)ccc([N+](=O)[O-])c1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM6 O15303 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSPB1 P04792 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL22832130 1.00 GRM6 (0.35) GRM6LMNASMN1; SMN2POLBMAPT
SCHEMBL29562473 0.88 MEN1 (0.40) GRM6LMNASMN1; SMN2POLBMAPT
SCHEMBL22832045 0.88 MEN1 (0.40) GRM6LMNASMN1; SMN2POLBMAPT
SCHEMBL22832036 0.87 LMNA (0.35) GRM6LMNASMN1; SMN2POLBMAPT
SCHEMBL29561992 0.87 LMNA (0.35) GRM6LMNASMN1; SMN2POLBMAPT
SCHEMBL22831965 0.87 LMNA (0.35) GRM6LMNASMN1; SMN2POLBMAPT
SCHEMBL29562048 0.87 LMNA (0.35) GRM6LMNASMN1; SMN2POLBMAPT
SCHEMBL22831892 0.85 LMNA (0.40) LMNASMN1; SMN2POLBMAPTTDP1
SCHEMBL29562065 0.85 LMNA (0.40) LMNASMN1; SMN2POLBMAPTTDP1
SCHEMBL22831931 0.84 LMNA (0.35) GRM6LMNASMN1; SMN2POLBMAPT

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
CN-114026073-B Quinazolin-4-one derivatives for the treatment of BRAF related diseases and disorders ARRAY生物制药公司 2024-08-23 — — CN disclosed
EP-3990437-A1 QUINAZOLIN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS Array Biopharma, Inc. (US) 2022-05-04 — — EP disclosed
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