SCHEMBL6707380

SCHEMBL6707380

[c]1nnc2cccc(-c3cnc4ccccc4n3)c2c1-c1ncc2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK10 P53779 2/20 0.34
MEN1 O00255 2/20 0.34
ALOX12 P18054 1/20 0.34
ATM Q13315 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NPC1 O15118 7/20 0.34
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 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
SCHEMBL2065802 0.74 CYP1A2 (0.49) CYP1A2KMT2AALDH1A1MAPTMEN1
SCHEMBL27654447 0.73 CYP1A2 (0.51) CYP1A2KMT2AALDH1A1MAPTMAPK10
SCHEMBL299834 0.69 NPC1 (0.42) CYP1A2KMT2AALDH1A1MAPTMAPK10
SCHEMBL2243516 0.68 KDM4E (0.52) CYP1A2KMT2AALDH1A1MAPTMAPK10
SCHEMBL5568496 0.66 NPC1 (0.43) CYP1A2KMT2AALDH1A1MAPTMAPK10
SCHEMBL28183808 0.65 CYP1A2 (0.70) CYP1A2KMT2AALDH1A1MAPTMEN1
SCHEMBL14099190 0.64 CYP1A2 (0.53) CYP1A2KMT2AALDH1A1MAPTMEN1
SCHEMBL30198446 0.64 CYP1A2 (0.60) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL30527184 0.64 CYP1A2 (0.60) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL1672650 0.64 CYP1A2 (0.60) CYP1A2ALDH1A1MAPTNPC1RAB9A

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-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed