SCHEMBL29562007

SCHEMBL29562007

CCCS(=O)(=O)N(c1ccc(F)c(Oc2ccc([N+](=O)[O-])c(C(=O)OC(C)(C)C)c2C)c1Cl)S(=O)(=O)CCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AR P10275 1/20 0.30
ALDH3A1 P30838 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22831802 1.00 BRAF (0.33) BRAFMEN1KMT2AMAPTLMNA
SCHEMBL22831987 0.93 BRAF (0.35) BRAFMEN1KMT2AMAPTLMNA
SCHEMBL22831818 0.87 BRAF (0.35) BRAF
SCHEMBL22831947 0.86 BRAF (0.33) BRAFKMT2AARALDH3A1
SCHEMBL22832125 0.80 BRAF (0.36) BRAF
SCHEMBL31150404 0.80 BRAF (0.45) BRAF
SCHEMBL29561773 0.80 LMNA (0.36) MEN1KMT2AMAPTLMNAALDH3A1
SCHEMBL22832028 0.80 LMNA (0.36) MEN1KMT2AMAPTLMNAALDH3A1
SCHEMBL22831801 0.80 BRAF (0.40) BRAFMAPT
SCHEMBL30353776 0.79 TDP1 (0.36) MEN1KMT2AMAPTLMNANPSR1

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