SCHEMBL3533243

SCHEMBL3533243

N#Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TP53 P04637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RORC P51449 9/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.52
MCL1 Q07820 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL7130616 0.91 RORC (0.70) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL25394310 0.81 MAPT (0.71) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL3531201 0.80 KDM4E (0.53) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL8310013 0.78 MAPT (0.80) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL23200368 0.77 KCNMA1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL7010635 0.76 KCNMA1 (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6815263 0.76 MAPT (0.60) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL18563891 0.76 MAPT (0.77) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL11528824 0.76 SMN1; SMN2 (0.56) MAPTKMT2AMEN1TP53ALDH1A1
SCHEMBL8393663 0.76 RORC (0.58) MAPTKMT2AMEN1TP53ALDH1A1

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 4 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
CN-1391562-A Quinazoline derivatives as medicaments ASTRAZENECA AB (SE) 2003-01-15 CN 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