SCHEMBL5648273

SCHEMBL5648273

O=C(Nc1ncc([N+](=O)[O-])cn1)c1cc(F)c(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
RORC P51449 2/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 2/20 0.44
PPARG P37231 2/20 0.44
ALOX15 P16050 1/20 0.44
PPARA Q07869 1/20 0.44
HTT P42858 1/20 0.44
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5648375 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1942220 0.80 KCNQ3 (0.55) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL5652633 0.78 KMT2A (0.54) NPC1RAB9ARORCSMN1; SMN2MAPT
SCHEMBL7128305 0.74 SMN1; SMN2 (0.61) NPC1RAB9ARORCSMN1; SMN2MAPT
SCHEMBL5652401 0.73 HDAC3 (0.43) NPC1RAB9ARORCMAPTALDH1A1
SCHEMBL5651949 0.72 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5651517 0.71 STAT3 (0.61) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL30868007 0.70 SMN1; SMN2 (0.55) NPC1RAB9ARORCSMN1; SMN2MAPT
SCHEMBL17963904 0.70 GAA (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL18146933 0.69 RORC (0.61) NPC1RAB9ARORCSMN1; SMN2MAPT

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