SCHEMBL29561992

SCHEMBL29561992

Cc1cc(N)c(F)c(Oc2ccc([N+](=O)[O-])c(C(=O)OC(C)(C)C)c2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TBXA2R P21731 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TTR P02766 1/20 0.33
▸ PPOX P50336 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CISD2 Q8N5K1 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL22831965 1.00 LMNA (0.35) LMNAPOLBSMN1; SMN2TBXA2RMAPT
SCHEMBL29562048 0.92 LMNA (0.35) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL22832036 0.92 LMNA (0.35) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL22831892 0.90 LMNA (0.40) LMNAPOLBSMN1; SMN2MAPTMEN1
SCHEMBL29562065 0.90 LMNA (0.40) LMNAPOLBSMN1; SMN2MAPTMEN1
SCHEMBL22832130 0.87 GRM6 (0.35) LMNAPOLBSMN1; SMN2TBXA2RMAPT
SCHEMBL29562072 0.87 GRM6 (0.35) LMNAPOLBSMN1; SMN2TBXA2RMAPT
SCHEMBL22832029 0.86 GRM6 (0.37) GRM6CISD2NPSR1NR3C2
SCHEMBL22832025 0.85 HSPB1 (0.34) LMNAPOLBSMN1; SMN2MAPTMEN1
SCHEMBL29562112 0.85 HSPB1 (0.34) LMNAPOLBSMN1; SMN2MAPTMEN1

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
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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