SCHEMBL573161

SCHEMBL573161

CC(C)C1(C(N)=O)CCC(Nc2cc(CN3CCCCC3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.45
MAPT P10636 9/20 0.44
POLB P06746 3/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH3A1 P30838 1/20 0.40
GLA P06280 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10270824 0.81 MAPK1 (0.48) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL571937 0.81 MAPK1 (0.48) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL2033579 0.74 MAPK1 (0.60) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL573126 0.73 MAPK1 (0.47) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL572673 0.73 MAPK1 (0.47) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL572221 0.73 MAPK1 (0.47) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL20985374 0.72 MAPK1 (0.56) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL20985373 0.72 MAPK1 (0.56) MAPK1MAPTPOLBPKMRAB9A
SCHEMBL573330 0.72 ALK (0.49) MAPK1
SCHEMBL572397 0.72 ALK (0.49) MAPK1

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
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 WO disclosed