SCHEMBL23840396

SCHEMBL23840396

C=C(Nc1cnc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
IDH1 O75874 10/20 0.41
PIK3C3 Q8NEB9 2/20 0.38
ALPL P05186 2/20 0.38
SGK1 O00141 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23833385 0.90 IDH1 (0.44) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL30151008 0.90 IDH1 (0.44) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL23840604 0.79 ITGA1 (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL25755146 0.79 ALPL (0.54) IDH1ALPLMAPTMEN1GAA
SCHEMBL23840479 0.77 CNR1 (0.42) IDH1PIK3C3MAPTMEN1KMT2A
SCHEMBL23840606 0.76 ITGA1 (0.43) IDH1PIK3C3ALPLMAPTMEN1
SCHEMBL23840609 0.76 SMN1; SMN2 (0.40) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL23840608 0.75 IDH1 (0.42) IDH1PIK3C3ALPLMAPTMEN1
SCHEMBL23833363 0.75 TUBB4A (0.50) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL30151018 0.75 TUBB4A (0.50) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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