SCHEMBL13788839

SCHEMBL13788839

CC(C)(C)Nc1ccc(Br)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 1/20 0.46
HTT P42858 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12403850 0.82 RAB9A (0.44) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL13788857 0.79 ALOX15 (0.38) ALDH1A1MAPK1HTTKMT2AMEN1
SCHEMBL12585229 0.79 PDK1 (0.47) ALDH1A1MAPK1HTTMAPTPOLB
SCHEMBL14864698 0.78 SIGMAR1 (0.45) ALDH1A1HTTMAPTKDM4EPOLB
SCHEMBL12883444 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1HTTMAPTKMT2A
SCHEMBL19194149 0.76 CYP2C19 (0.39) ALDH1A1MAPTKDM4EPOLBKMT2A
SCHEMBL12403859 0.76 KMT2A (0.40) MAPK1POLBKMT2AMEN1NPSR1
SCHEMBL1957518 0.76 AAK1 (0.39) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL8294258 0.76 ALDH1A1 (0.49) ALDH1A1MAPK1HTTMAPTKDM4E
SCHEMBL12883439 0.76 LMNA (0.42) ALDH1A1HTTMAPTKDM4EPOLB

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
US-7560565-B2 Method for preparing derivatives of 3-hydroxypicolinic acid BAYER CROPSCIENCE SA (FR) 2009-07-14 US disclosed