SCHEMBL1809893

SCHEMBL1809893

CC(C)COc1ccc(Cc2[nH]nnc2-c2cccnc2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.36
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 5/20 0.35
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 3/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ABCB1 P08183 2/20 0.34
XDH P47989 1/20 0.33

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
SCHEMBL1805275 0.86 NPC1 (0.48) LMNAMEN1KMT2ANPC1ALDH1A1
SCHEMBL1809286 0.79 IGF1R (0.40) MAPTNPC1RAB9A
SCHEMBL1809892 0.70 MEN1 (0.45) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL15114294 0.66 LMNA (0.57) LMNAMAPTMEN1ALOX12KMT2A
SCHEMBL26070898 0.65 BTK (0.49) MAPTBTKNPC1RAB9ASMN1; SMN2
SCHEMBL30480284 0.63 LMNA (0.49) LMNAMAPTMEN1ALOX12KMT2A
SCHEMBL10643589 0.62 LTA4H (0.54) LMNAMAPTNPC1ALDH1A1RAB9A
SCHEMBL1808855 0.62 MAPK1 (0.52) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL123415 0.61 MAPT (0.55) LMNAMAPTMEN1ALOX12KMT2A
SCHEMBL23544689 0.61 NQO1 (0.54) LMNAMAPTMEN1ALOX12KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO claimed
WO-2011051198-A2 PYRIDINE DERIVATIVES AS AGRICULTURAL PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-05-05 WO disclosed