SCHEMBL19365540

SCHEMBL19365540

CN1CCCN(C(=O)Nc2ccc(CNC(=O)CCC3(C)NN3)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ FSHR P23945 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TRPA1 O75762 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
SCHEMBL19706023 0.91 CA2 (0.36) CA2CA9LMNABACE1USP2
SCHEMBL19365797 0.86 TP53 (0.38) CA2CA9LMNABACE1USP2
SCHEMBL19865035 0.85 CA2 (0.37) CA2CA9LMNABACE1USP2
SCHEMBL19365537 0.85 CA2 (0.43) CA2CA9LMNABACE1MAPT
SCHEMBL19670371 0.84 NAMPT (0.44) CA2CA9LMNAUSP2POLB
SCHEMBL16785514 0.83 KMT2A (0.37) CA2CA9BACE1MAPTTRPV1
SCHEMBL19670654 0.81 CA2 (0.42) CA2CA9LMNAMAPTTRPV1
SCHEMBL19670250 0.81 CA2 (0.37) CA2CA9BACE1USP2POLB
SCHEMBL16785643 0.79 CA2 (0.37) CA2CA9BACE1USP2POLB
SCHEMBL19365266 0.79 GRIN2B (0.38) CA2CA9LMNAMAPTSMN1; SMN2

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 2 patents. 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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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