SCHEMBL27686642

SCHEMBL27686642

COc1cc(C(=O)c2ccccc2)c(OC)c(C)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
LMNA P02545 6/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
TUBB4A P04350 4/20 0.45
TUBB P07437 4/20 0.45
TUBA3C P0DPH7 4/20 0.45
TUBA1B P68363 4/20 0.45
TUBA4A P68366 4/20 0.45
TUBB4B P68371 4/20 0.45
TUBB3 Q13509 4/20 0.45
TUBB2A Q13885 4/20 0.45
TUBB8 Q3ZCM7 4/20 0.45
TUBA3E Q6PEY2 4/20 0.45
TUBA1A Q71U36 4/20 0.45
TUBA1C Q9BQE3 4/20 0.45

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
SCHEMBL28175682 0.84 PKM (0.70) PKMLMNAMAPTKDM4EHSD17B10
SCHEMBL27448977 0.80 MAPT (0.55) PKMLMNAMAPTKDM4EHSD17B10
SCHEMBL10436235 0.79 TUBB4A (0.54) PKMLMNAMAPTKDM4EHSD17B10
SCHEMBL27690514 0.78 SMN1; SMN2 (0.46) PKMLMNAMAPTKDM4EHSD17B10
SCHEMBL27595882 0.77 LMNA (0.69) LMNAMAPTKDM4EHSD17B10CYP3A4
SCHEMBL28041887 0.76 MAPT (0.55) LMNAMAPTKDM4EHSD17B10CYP3A4
SCHEMBL2137968 0.76 MAPT (0.58) LMNAMAPTKDM4EHSD17B10CYP3A4
SCHEMBL11187759 0.76 MAPT (0.68) PKMLMNAMAPTKDM4EHSD17B10
SCHEMBL27572791 0.76 LMNA (0.56) LMNAMAPTKDM4EHSD17B10CYP3A4
SCHEMBL12082250 0.75 PKM (0.53) PKMLMNAMAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035772-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-14 CN disclosed
CN-101035770-B 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV 2011-02-23 CN disclosed
CN-101035772-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN disclosed
CN-101035770-A Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN disclosed
CN-101035771-A 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-09-12 CN disclosed