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SCHEMBL19365750

SCHEMBL19365750

CCN1CCCN(C(=O)Nc2ccc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.53
▸ CA2 P00918 11/20 0.53
▸ CA9 Q16790 11/20 0.53
▸ CA12 O43570 7/20 0.53
▸ CA14 Q9ULX7 4/20 0.53
▸ ELF3 P78545 4/20 0.49
▸ MED23 Q9ULK4 4/20 0.49
▸ CA7 P43166 2/20 0.47
▸ FKBP1A P62942 2/20 0.45
▸ BTK Q06187 1/20 0.45
▸ HTR3A P46098 2/20 0.44

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
SCHEMBL21841338 0.88 SLC5A2 (0.47) BTK
SCHEMBL19365748 0.86 CA1 (0.51) CA1CA2CA9CA12CA14
SCHEMBL19669980 0.86 CA1 (0.51) CA1CA2CA9CA12CA14
SCHEMBL19669056 0.85 CA1 (0.52) CA1CA2CA9CA12CA14
SCHEMBL19365546 0.82 SLC5A2 (0.47) BTK
SCHEMBL19365573 0.75 CA2 (0.39) CA2CA9
SCHEMBL16250025 0.74 SLC5A2 (0.50) FKBP1ABTKHTR3A
SCHEMBL19669062 0.74 SLC5A2 (0.50) FKBP1ABTKHTR3A
SCHEMBL19365740 0.74 SLC5A2 (0.50) BTKHTR3A
SCHEMBL19818217 0.74 CA9 (0.77) CA1CA2CA9CA12CA14

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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