SCHEMBL19365546

SCHEMBL19365546

CN1CCCN(C(=O)Nc2ccc(CNC(=O)CCCCCNC(=O)c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 2/20 0.47
▸ ALB P02768 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ BTK Q06187 3/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ HTRA2 O43464 4/20 0.43
▸ HTRA1 Q92743 4/20 0.43
▸ AVPR2 P30518 2/20 0.41
▸ OXTR P30559 2/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ AVPR1A P37288 1/20 0.40

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 0.94 SLC5A2 (0.47) SLC5A2ALBESR1BTKFOLH1
SCHEMBL19365740 0.91 SLC5A2 (0.50) SLC5A2ALBESR1BTKFOLH1
SCHEMBL19669062 0.88 SLC5A2 (0.50) SLC5A2ALBESR1BTKFOLH1
SCHEMBL16250025 0.88 SLC5A2 (0.50) SLC5A2ALBESR1BTKFOLH1
SCHEMBL19361190 0.87 SLC5A2 (0.50) SLC5A2ALBESR1BTKFOLH1
SCHEMBL19365750 0.82 CA1 (0.53) BTK
SCHEMBL19365797 0.78 TP53 (0.38) HDAC3HDAC6
SCHEMBL19365748 0.75 CA1 (0.51) —
SCHEMBL19669980 0.75 CA1 (0.51) —
SCHEMBL19669056 0.74 CA1 (0.52) —

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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