SCHEMBL1383650

SCHEMBL1383650

CC(CNC(=O)c1cnc(NCc2ccccn2)nc1-c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
THRB P10828 1/20 0.42
FLT3 P36888 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
NAMPT P43490 1/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 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
SCHEMBL1383520 0.89 THRB (0.52) HDAC3HDAC1HDAC2HDAC6THRB
SCHEMBL1383227 0.84 ALDH1A1 (0.42) LMNAHTTHDAC3HDAC1HDAC2
SCHEMBL3442663 0.78 HDAC3 (0.52) LMNAHTTHDAC3HDAC1HDAC2
SCHEMBL1384191 0.76 CASR (0.55) LMNATHRBALDH1A1MAPTCASR
SCHEMBL4112185 0.75 NPY5R (0.44) LMNAHTTHDAC3HDAC1HDAC2
SCHEMBL3442955 0.64 ATM (0.57) HDAC3HDAC1HDAC2HDAC6THRB
SCHEMBL6135245 0.64 CCNA2 (0.40) HDAC3HDAC1HDAC2HDAC6MERTK
SCHEMBL8224027 0.64 HDAC3 (0.55) HTTHDAC3HDAC1HDAC2HDAC6
SCHEMBL27562638 0.64 NAMPT (0.51) LMNAHTTTYRO3KDM4ENAMPT
SCHEMBL22573389 0.63 LMNA (0.60) LMNAHTTALDH1A1KDM4ENAMPT

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