SCHEMBL23840486

SCHEMBL23840486

C=C(Nc1cnc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cn(C)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.40
ALPL P05186 5/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NTRK1 P04629 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.36
CFTR P13569 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 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
SCHEMBL30150995 0.91 MAPT (0.46) IDH1POLBGAAMAPTMEN1
SCHEMBL23833490 0.91 MAPT (0.46) IDH1POLBGAAMAPTMEN1
SCHEMBL23846447 0.88 MAPT (0.46) IDH1ALPLPOLBGAAMAPT
SCHEMBL23840599 0.88 PIK3C3 (0.36) IDH1ALPLPOLBGAAMAPT
SCHEMBL25758644 0.79 LMNA (0.51) IDH1ALPLPOLBGAAMAPT
SCHEMBL30151060 0.78 HTR2C (0.43) POLBGAAMAPTMEN1KMT2A
SCHEMBL23833429 0.78 HTR2C (0.43) POLBGAAMAPTMEN1KMT2A
SCHEMBL23840606 0.78 ITGA1 (0.43) IDH1ALPLPOLBGAAMAPT
SCHEMBL23840604 0.77 ITGA1 (0.45) IDH1ALPLGAAMAPTMEN1
SCHEMBL23840608 0.75 IDH1 (0.42) IDH1ALPLMAPTMEN1KMT2A

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