SCHEMBL19670629

SCHEMBL19670629

CCN1CC[C@@H](C)N(C(=O)Nc2ccnc(Br)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KMO O15229 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36

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
SCHEMBL19670135 0.92 MEN1 (0.41) CA2CA9TRPV1MEN1KMT2A
SCHEMBL19670425 0.90 KMT2A (0.39) CA2CA9MEN1KMT2ALMNA
SCHEMBL19670644 0.87 HSD17B10 (0.37) CA2CA9TRPV1MEN1KMT2A
SCHEMBL19670179 0.87 HTR2C (0.46) TRPV1MEN1KMT2ATSHRUBE2M
SCHEMBL19670214 0.85 TRPA1 (0.38) CA2CA9MEN1KMT2ALMNA
SCHEMBL19670225 0.83 MLLT1 (0.38) CA2CA9TRPV1MEN1KMT2A
SCHEMBL19670580 0.83 TRPV1 (0.43) CA2CA9TRPV1MEN1KMT2A
SCHEMBL19670212 0.83 RHOA (0.45) CA2CA9TRPV1MEN1KMT2A
SCHEMBL19670353 0.83 MEN1 (0.44) MEN1KMT2AMAPTBRAFRAF1
SCHEMBL19670209 0.83 CNR2 (0.36) CA2CA9MEN1KMT2ALMNA

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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