SCHEMBL5652401

SCHEMBL5652401

O=C(Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RORC P51449 1/20 0.42
AURKA O14965 3/20 0.41
CHEK2 O96017 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
FLT4 P35916 1/20 0.41
ABL2 P42684 1/20 0.41
BLK P51451 1/20 0.41
LIMK1 P53667 1/20 0.41

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
SCHEMBL5652183 0.83 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC6AURKA
SCHEMBL5651949 0.77 NPC1 (0.50) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL5648273 0.73 NPC1 (0.50) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL30369378 0.72 RORC (0.76) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL18148001 0.72 RORC (0.76) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL7081121 0.70 GAA (0.43) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL27489099 0.70 MEN1 (0.52) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL13485802 0.70 LMNA (0.61) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL29151334 0.70 MAPT (0.55) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL30354938 0.70 MAPT (0.55) KMT2AALDH1A1MAPTMEN1HTT

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-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
CN-1391563-A Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2003-01-15 CN 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