SCHEMBL19670353

SCHEMBL19670353

CCN1CC[C@@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)OC3)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ BRAF P15056 15/20 0.41
▸ RAF1 P04049 14/20 0.41
▸ MAPT P10636 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 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
SCHEMBL16775898 0.84 MEN1 (0.43) MEN1KMT2ARXFP1BRAFRAF1
SCHEMBL19670135 0.83 MEN1 (0.41) MEN1KMT2ABRAFRAF1MAPT
SCHEMBL19670629 0.83 CA2 (0.40) MEN1KMT2ABRAFRAF1MAPT
SCHEMBL17618418 0.83 MEN1 (0.44) MEN1KMT2ARXFP1BRAFRAF1
SCHEMBL19670179 0.83 HTR2C (0.46) MEN1KMT2ABRAF
SCHEMBL19670225 0.82 MLLT1 (0.38) MEN1KMT2ABRAFRAF1MAPT
SCHEMBL19670214 0.82 TRPA1 (0.38) MEN1KMT2ABRAFRAF1MAPT
SCHEMBL19670212 0.82 RHOA (0.45) MEN1KMT2ABRAFRAF1MAPT
SCHEMBL19670644 0.81 HSD17B10 (0.37) MEN1KMT2ABRAFRAF1MAPT
SCHEMBL19670425 0.81 KMT2A (0.39) MEN1KMT2ABRAFRAF1MAPT

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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