SCHEMBL23840599

SCHEMBL23840599

C=C(Nc1cnc(OC)c(S(=O)(=O)Nc2c(C)cccc2C)c1)c1cn(C)c2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
IDH1 O75874 1/20 0.35
ALPL P05186 4/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MALT1 Q9UDY8 2/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRAF P15056 1/20 0.34
MET P08581 1/20 0.33

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
SCHEMBL23833429 0.91 HTR2C (0.43) PIK3C3RXFP1POLBMAPTKDM4E
SCHEMBL30151060 0.91 HTR2C (0.43) PIK3C3RXFP1POLBMAPTKDM4E
SCHEMBL23840486 0.88 IDH1 (0.40) PIK3C3PIK3CAPOLBMAPTIDH1
SCHEMBL23840519 0.84 MAP2K1 (0.42) PIK3C3POLBMAPTIDH1ALPL
SCHEMBL23840521 0.80 IDH1 (0.37) PIK3C3PIK3CAMTORPOLBIDH1
SCHEMBL30150995 0.78 MAPT (0.46) POLBMAPTIDH1KDM4EALDH1A1
SCHEMBL23833490 0.78 MAPT (0.46) POLBMAPTIDH1KDM4EALDH1A1
SCHEMBL23840394 0.78 CCR4 (0.38) PIK3C3PIK3CAMTORPOLBMAPT
SCHEMBL25754534 0.78 MEN1 (0.49) RXFP1POLBMAPTKDM4EALDH1A1
SCHEMBL23840579 0.77 PIK3C3 (0.42) PIK3C3PIK3CAMTORALPLBRAF

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