SCHEMBL571735

SCHEMBL571735

CC(C)[Si](OCNc1ccccc1)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNH3 Q9ULD8 2/20 0.34

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
SCHEMBL21496091 0.78 MAPT (0.43) MAPTALDH1A1MAOAMAOBKDM4E
SCHEMBL2204709 0.77 MAPT (0.37) MAPTALDH1A1TDP1MAOAMAOB
SCHEMBL814026 0.74 KCNH3 (0.41) MAPTALDH1A1MAOAMAOBL3MBTL1
SCHEMBL1069533 0.73 MAPT (0.40) MAPTALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL27678660 0.73 NPSR1 (0.39) MAPTALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL4616628 0.73 MAPT (0.40) MAPTALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL2204713 0.72 MAPT (0.38) MAPTALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL19828234 0.71 MAPT (0.41) MAPTALDH1A1TDP1MAOAHPGD
SCHEMBL28923501 0.70 HPGD (0.54) MAPTALDH1A1TDP1HPGDKDM4E
SCHEMBL28089433 0.70 MAPT (0.38) MAPTALDH1A1MAOAMAOBL3MBTL1

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