SCHEMBL30487013

SCHEMBL30487013

O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 14/20 1.00
CHRM2 P08172 1/20 0.81
ADRA2A P08913 1/20 0.81
CHRM1 P11229 1/20 0.81
SLC6A2 P23975 1/20 0.81
SIRT2 Q8IXJ6 1/20 0.81
SIRT3 Q9NTG7 1/20 0.81
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM1A O60341 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 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
SCHEMBL2740178 1.00 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL29488567 0.89 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL963877 0.89 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
Hydrochloric Acid SCHEMBL16372055 0.89 SIRT1 (0.98) SIRT1CHRM2ADRA2ACHRM1SLC6A2
Hydrochloric Acid SCHEMBL30156752 0.89 SIRT1 (0.98) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2624783 0.86 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL11953437 0.86 SIRT1 (0.77) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740282 0.85 SIRT1 (0.82) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740356 0.85 SIRT1 (1.00) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL2740355 0.84 SIRT1 (0.79) SIRT1CHRM2ADRA2ACHRM1SLC6A2

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
WO-2023130140-A2 PERSONALIZED METHODS OF TREATING CANCER FAETH THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed