SCHEMBL19365545

SCHEMBL19365545

C[C@@H]1CCN(C)c2ccc(-c3cccc(N4CCC(F)(F)C4)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TEK Q02763 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ TRPV3 Q8NET8 2/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ SYK P43405 2/20 0.31
▸ LDHA P00338 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ CREBBP Q92793 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PRKCI P41743 1/20 0.30
▸ KIF18A Q8NI77 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL19364877 0.90 TRPV3 (0.38) TEKTRPV3SYKPLK4GSK3B
SCHEMBL19670206 0.88 DYRK1A (0.34) SCN10ATRPV3GSK3BDYRK1A
SCHEMBL19365431 0.88 IDH1 (0.34) TEKIDH1ALOX5APSYKCREBBP
SCHEMBL19365678 0.88 PDE10A (0.34) TRPV3PLK4DYRK1AKDM4EALDH1A1
SCHEMBL19365433 0.88 PDE10A (0.34) TRPV3PLK4DYRK1AKDM4EALDH1A1
SCHEMBL19365380 0.86 KARS1 (0.39) TEKIDH1FAAHALOX5APSYK
SCHEMBL17618549 0.86 SCN10A (0.34) TEKFAAHSCN10ATRPV3ALOX5AP
SCHEMBL19365440 0.85 PIM2 (0.35) —
SCHEMBL19365756 0.84 VCP (0.38) IDH1FAAHCREBBPGSK3BDYRK1A
SCHEMBL19365595 0.83 MAPT (0.38) ALDH1A1SMN1; 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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