SCHEMBL19670644

SCHEMBL19670644

CCN1CC[C@@H](C)N(C(=O)Nc2cncc(Br)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 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
SCHEMBL19670179 0.90 HTR2C (0.46) MEN1KMT2AUBE2MDCUN1D1HTR2A
SCHEMBL19670425 0.87 KMT2A (0.39) HSD17B10MAPTLMNACA2CA9
SCHEMBL19670629 0.87 CA2 (0.40) HSD17B10MAPTLMNACA2CA9
SCHEMBL19670214 0.85 TRPA1 (0.38) MAPTLMNACA2CA9MEN1
SCHEMBL19670135 0.84 MEN1 (0.41) HSD17B10MAPTLMNACA2CA9
SCHEMBL19670212 0.84 RHOA (0.45) MAPTCA2CA9MEN1KMT2A
SCHEMBL19670225 0.83 MLLT1 (0.38) MAPTCA2CA9MEN1KMT2A
SCHEMBL19670209 0.83 CNR2 (0.36) MAPTLMNACA2CA9MEN1
SCHEMBL19670221 0.82 UBE2M (0.37) MAPTMEN1KMT2AUBE2MDCUN1D1
SCHEMBL19670141 0.82 SCN9A (0.37) HSD17B10LMNAMEN1KMT2AUBE2M

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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