SCHEMBL29705335

SCHEMBL29705335

COc1cnnc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.43
HPGDS O60760 1/20 0.40
KDM4E B2RXH2 4/20 0.39
PDE10A Q9Y233 1/20 0.38
USP8 P40818 2/20 0.37
MAPT P10636 4/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
GAA P10253 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
GRM5 P41594 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL27215066 1.00 NQO1 (0.43) NQO1HPGDSKDM4EPDE10AUSP8
SCHEMBL21611510 0.80 PDE2A (0.43) GRM5ALDH1A1
SCHEMBL21611424 0.76 GRM5 (0.36) GRM5ALDH1A1
SCHEMBL31014932 0.76 GRM5 (0.36) GRM5ALDH1A1
SCHEMBL7426499 0.74 NQO1 (0.53) NQO1HPGDSKDM4EUSP8MAPT
SCHEMBL29447429 0.72
SCHEMBL28247296 0.72
SCHEMBL29549997 0.71 ALK (0.33) CYP11B2
SCHEMBL2614481 0.70
SCHEMBL17144286 0.69 ATM (0.45) KDM4ECYP11B1CYP11B2GAAGRM5

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed