SCHEMBL29561799

SCHEMBL29561799

Cc1c(Oc2c(F)c(F)cc(N)c2Cl)ccc([N+](=O)[O-])c1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ TTR P02766 2/20 0.33
▸ PPOX P50336 1/20 0.33
▸ HSPB1 P04792 1/20 0.33
▸ ALB P02768 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.32
▸ WDR5 P61964 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GRM6 O15303 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL22831871 1.00 LMNA (0.35) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL29562112 0.91 HSPB1 (0.34) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL22832025 0.91 HSPB1 (0.34) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL22832028 0.89 LMNA (0.36) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL29561773 0.89 LMNA (0.36) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL22831931 0.84 LMNA (0.35) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL29562297 0.84 LMNA (0.35) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL29562065 0.83 LMNA (0.40) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL22831892 0.83 LMNA (0.40) LMNAPOLBSMN1; SMN2MAPTKMT2A
SCHEMBL22831965 0.81 LMNA (0.35) LMNAPOLBSMN1; SMN2MAPTKMT2A

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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