SCHEMBL23840316

SCHEMBL23840316

C=C(/C=C/N=C(\N)c1ccccc1)Nc1cnc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.41
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
ALPL P05186 4/20 0.38
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
ITGA1 P56199 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL23846329 0.87 MAPT (0.50) IDH1ALPLMEN1MAPTKMT2A
SCHEMBL23840604 0.78 ITGA1 (0.45) IDH1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL23833480 0.76 GPR27 (0.48) IDH1ALPLMEN1MAPTKMT2A
SCHEMBL30151063 0.76 GPR27 (0.48) IDH1ALPLMEN1MAPTKMT2A
SCHEMBL23840606 0.76 ITGA1 (0.43) IDH1ALPLMEN1MAPTKMT2A
SCHEMBL23840396 0.73 PIK3CD (0.43) IDH1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL23840609 0.73 SMN1; SMN2 (0.40) IDH1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL23833408 0.73 MAPT (0.44) IDH1ALPLMEN1MAPTKMT2A
SCHEMBL30151035 0.73 MAPT (0.44) IDH1ALPLMEN1MAPTKMT2A
SCHEMBL23840608 0.73 IDH1 (0.42) IDH1ALPLMEN1MAPTKMT2A

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-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed