SCHEMBL19670310

SCHEMBL19670310

CCN1CC[C@@H](C)N(C(=O)Nc2cc(OC)ncn2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ KDR P35968 11/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ MAPK14 Q16539 5/20 0.36
▸ TNNI3K Q59H18 5/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ BRAF P15056 6/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ BCR P11274 2/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SCN9A Q15858 1/20 0.34

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
SCHEMBL19670279 0.86 FAAH (0.38) FAAHCSNK1DCSNK1EFGFR4
SCHEMBL16775963 0.84 FAAH (0.42) FAAHKDRCSNK1DCSNK1EMAPK14
SCHEMBL19670438 0.84 FAAH (0.36) FAAHCSNK1DCSNK1EFGFR4MTOR
SCHEMBL19670579 0.84 TRPA1 (0.36) BRAFCA2CA9
SCHEMBL19670214 0.83 TRPA1 (0.38) KDRMTORBRAFABL1CA2
SCHEMBL17624236 0.83 FAAH (0.39) FAAHKDRCSNK1DCSNK1EMAPK14
SCHEMBL17618367 0.83 FAAH (0.41) FAAHKDRCSNK1DCSNK1EMAPK14
SCHEMBL19706218 0.83 FAAH (0.41) FAAHKDRCSNK1DCSNK1EMAPK14
SCHEMBL19670629 0.83 CA2 (0.40) MAPK14BRAFCA2CA9
SCHEMBL17618373 0.82 FAAH (0.40) FAAHKDRCSNK1DCSNK1EMAPK14

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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