SCHEMBL12829705

SCHEMBL12829705

CCCCCCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(OC)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 8/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
IRS1 P35568 2/20 0.48
GAB1 Q13480 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL10108458 0.91 AKT1 (0.53) AKT1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL10108485 0.87 AKT1 (0.71) AKT1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL12830173 0.87 AKT1 (0.72) AKT1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL328517 0.86 AKT1 (0.56) AKT1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL328519 0.83 AKT1 (0.51) AKT1ALDH1A1PKMHSD17B10IRS1
SCHEMBL13648772 0.82 AKT1 (0.71) AKT1ALDH1A1KDM4EGAB1LMNA
SCHEMBL12829987 0.82 AKT1 (0.55) AKT1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL328512 0.81 AKT1 (0.51) AKT1ALDH1A1KDM4EPKMHSD17B10
SCHEMBL11893090 0.80 PKM (0.61) AKT1ALDH1A1PKMHSD17B10MEN1
SCHEMBL328518 0.78 ALDH1A1 (0.69) AKT1ALDH1A1PKMHSD17B10MEN1

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-2011032169-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. (US) 2011-03-17 WO disclosed