SCHEMBL1383520

SCHEMBL1383520

CC(CNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
CASR P41180 7/20 0.49
RXFP1 Q9HBX9 3/20 0.46
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 3/20 0.41
ATM Q13315 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL1383650 0.89 LMNA (0.43) THRBCASRRXFP1RAB9AHDAC3
SCHEMBL1383227 0.87 ALDH1A1 (0.42) THRBCASRRXFP1RAB9AMAPK1
SCHEMBL1384191 0.82 CASR (0.55) THRBCASRRXFP1
SCHEMBL3442955 0.77 ATM (0.57) THRBCASRRAB9ANPSR1ATM
SCHEMBL1383783 0.74 CASR (0.50) THRBCASRRXFP1
SCHEMBL3943937 0.73 NPY5R (0.47) CASRRAB9ANPSR1ATM
SCHEMBL1384551 0.71 CASR (0.46) CASRRAB9A
SCHEMBL1386304 0.70 SLC16A3 (0.41) THRBCASRRXFP1RAB9ANPSR1
SCHEMBL1385867 0.67 CASR (0.59) THRBCASRRXFP1
SCHEMBL3443239 0.67 HDAC3 (0.53) THRBCASRATMHDAC3HDAC1

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
JP-4825686-B2 2011-11-30 JP claimed