SCHEMBL28018804

SCHEMBL28018804

O=[N+]([O-])c1ccc([CH]c2ccncc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.79
NPC1 O15118 3/20 0.79
RAB9A P51151 3/20 0.79
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
APP P05067 1/20 0.52
FBP1 P09467 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
PTGS2 P35354 2/20 0.45
AMY1A P0DUB6 1/20 0.45
EGFR P00533 1/20 0.45
PTGS1 P23219 1/20 0.44
CYP19A1 P11511 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL62411 0.88 MAPT (1.00) MAPTNPC1RAB9APOLBL3MBTL1
SCHEMBL62412 0.88 MAPT (1.00) MAPTNPC1RAB9APOLBL3MBTL1
SCHEMBL439935 0.87 APP (0.64) MAPTNPC1RAB9AAPPFBP1
Pyrazine SCHEMBL27515795 0.80 MAPT (0.65) MAPTNPC1RAB9APOLBL3MBTL1
SCHEMBL545380 0.80
SCHEMBL5248686 0.79 ALDH1A1 (0.62) MAPTNPC1RAB9APOLBL3MBTL1
Ammonia Solution, Strong SCHEMBL27496972 0.78 MAPT (0.63) MAPTNPC1RAB9APOLBL3MBTL1
Hydrochloric Acid SCHEMBL27929116 0.78 MAPT (0.63) MAPTNPC1RAB9APOLBL3MBTL1
SCHEMBL14880657 0.78 HSPB1 (0.60) MAPTNPC1RAB9APOLBAPP
SCHEMBL14880514 0.78 MAOB (0.58) MAPTNPC1RAB9AAPPFBP1

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
CN-104603133-A Combination therapy for the treatment of cancer and immunosuppression BASILEA PHARMACEUTICA AG 2015-05-06 CN disclosed