SCHEMBL23840609

SCHEMBL23840609

C=C(Nc1cnc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cnn(Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
IDH1 O75874 6/20 0.40
BRD4 O60885 2/20 0.39
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
AR P10275 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
SGK1 O00141 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL23840305 0.91 SMN1; SMN2 (0.49) SMN1; SMN2IDH1RIPK1ALDH1A1L3MBTL1
SCHEMBL23840605 0.82 L3MBTL1 (0.45) SMN1; SMN2IDH1ALDH1A1L3MBTL1MEN1
SCHEMBL23833441 0.80 SMN1; SMN2 (0.47) SMN1; SMN2IDH1ALDH1A1TNFNOD2
SCHEMBL30151089 0.80 SMN1; SMN2 (0.47) SMN1; SMN2IDH1ALDH1A1TNFNOD2
SCHEMBL25482866 0.80 L3MBTL1 (0.47) SMN1; SMN2IDH1ALDH1A1L3MBTL1MEN1
SCHEMBL23840604 0.79 ITGA1 (0.45) SMN1; SMN2IDH1ALDH1A1MEN1GAA
SCHEMBL23840608 0.77 IDH1 (0.42) SMN1; SMN2IDH1MEN1MAPTKMT2A
SCHEMBL23840606 0.76 ITGA1 (0.43) IDH1MEN1GAAMAPTKMT2A
SCHEMBL23840396 0.76 PIK3CD (0.43) SMN1; SMN2IDH1MEN1GAAMAPT
SCHEMBL23840316 0.73 IDH1 (0.41) SMN1; SMN2IDH1ALDH1A1MEN1GAA

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