SCHEMBL5652633

SCHEMBL5652633

O=C(Nc1ncc([N+](=O)[O-])cn1)c1ccccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MAPK1 P28482 2/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 2/20 0.51
RORC P51449 2/20 0.51
CYP2D6 P10635 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 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
PPARG P37231 1/20 0.51
THPO P40225 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
SCHEMBL5653845 0.80 HPGD (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL2063757 0.80 KMT2A (0.60) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL5648273 0.78 NPC1 (0.50) KMT2AMAPK1MEN1ALDH1A1TP53
SCHEMBL28010009 0.78 KMT2A (0.74) KMT2AMAPK1GAAMEN1ALDH1A1
SCHEMBL6107391 0.78 CYP1A2 (0.58) KMT2AGAAMEN1ALDH1A1SMN1; SMN2
SCHEMBL7128305 0.76 SMN1; SMN2 (0.61) KMT2AMAPK1GAAMEN1TP53
SCHEMBL5651517 0.76 STAT3 (0.61) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL15668418 0.75 RORC (0.68) KMT2AMAPK1GAAMEN1ALDH1A1
SCHEMBL11154084 0.75 STAT3 (0.75) KMT2AMAPK1MEN1ALDH1A1TP53
SCHEMBL1942220 0.74 KCNQ3 (0.55) KMT2AMEN1SMN1; SMN2MAPTHTT

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-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed