SCHEMBL12826267

SCHEMBL12826267

CCOc1cnn(CC)c(=O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.53
NR2E3 Q9Y5X4 1/20 0.45
ALDH1A1 P00352 9/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
BRD4 O60885 1/20 0.44
BPTF Q12830 1/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
KAT2B Q92831 1/20 0.40
HTT P42858 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL10366469 0.87 GAA (0.50) GAAKMT2AALDH1A1NPBWR1MCHR1
SCHEMBL981480 0.85 KMT2A (0.54) GAAKMT2AALDH1A1NPBWR1MCHR1
SCHEMBL27673286 0.82 GAA (0.46) GAAKMT2ANR2E3ALDH1A1NPBWR1
SCHEMBL20995545 0.81 ATM (0.49) GAANR2E3ALDH1A1NPBWR1MCHR1
SCHEMBL27673287 0.81 GAA (0.45) GAAKMT2AALDH1A1NPBWR1MCHR1
SCHEMBL10368114 0.80 GAA (0.44) GAAKMT2AALDH1A1NPBWR1MCHR1
SCHEMBL10858045 0.78 BRD4 (0.44) GAAKMT2ANR2E3ALDH1A1NPBWR1
SCHEMBL16998536 0.78 SMN1; SMN2 (0.53) GAAKMT2ANR2E3ALDH1A1NPBWR1
SCHEMBL10616008 0.77 BRD4 (0.43) GAAKMT2ANR2E3ALDH1A1NPBWR1
SCHEMBL15885153 0.77 NR2E3 (0.55) GAAKMT2ANR2E3ALDH1A1NPBWR1

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-2011028492-A2 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-10 WO disclosed