SCHEMBL3529113

SCHEMBL3529113

O=[N+]([O-])c1ccc([C]2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
APP P05067 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL28415746 0.98 APP (0.50) MAPTAPPCA12CA1CA2
SCHEMBL1066989 0.89 APP (0.54) MAPTAPPCA12CA1CA2
SCHEMBL28198 0.77 CA1 (0.67) MAPTAPPCA12CA1CA2
SCHEMBL6423919 0.77 CA1 (0.67) MAPTAPPCA12CA1CA2
SCHEMBL2650048 0.75 MAPT (0.46) MAPTAPPCA12CA1CA2
Water SCHEMBL28670631 0.74 CA1 (0.64) MAPTAPPCA12CA1CA2
SCHEMBL28711861 0.74 ALDH1A1 (0.65) APPCA12CA1CA2CA9
SCHEMBL22567 0.74 ALDH1A1 (0.72) APPCA12CA1CA2CA9
SCHEMBL27909482 0.74 ALDH1A1 (0.72) APPCA12CA1CA2CA9
SCHEMBL6297782 0.73 TDP1 (0.48) MAPTCA1CA2ALDH1A1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709479-B1 Quinazoline derivatives and their use as pharmaceuticals ASTRAZENECA (SE) 2010-05-04 US disclosed
EP-1218354-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021596-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2001-03-29 WO disclosed