SCHEMBL1552689

SCHEMBL1552689

NNc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.54
MAOB P27338 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALOX5 P09917 1/20 0.46
PARP10 Q53GL7 1/20 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
SCHEMBL21477182 0.86 MAOB (0.41) P4HTMMAOBGAAMAPTMAOA
SCHEMBL21464583 0.84 L3MBTL1 (0.47) P4HTMMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL19023188 0.83 P4HTM (0.54) P4HTMMAOBGAAMAPTMAOA
SCHEMBL16343085 0.80 TSHR (0.50) MAOBMAPTBCHECA1CA2
SCHEMBL18768538 0.78 P4HTM (0.46) P4HTMMAOBGAAMAPTMAOA
SCHEMBL2648020 0.77 MAOB (0.61) P4HTMMAOBGAAMAPTMAOA
SCHEMBL30362841 0.77 MAOB (0.61) P4HTMMAOBGAAMAPTMAOA
SCHEMBL31011207 0.76 P4HTM (0.50) P4HTMMAOBGAAMAPTMAOA
SCHEMBL29273695 0.76 P4HTM (0.50) P4HTMMAOBGAAMAPTMAOA
Hydrochloric Acid SCHEMBL1330115 0.76 MAOB (0.59) P4HTMMAOBGAAMAPTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2090575-B1 Processes and intermediates for the preparation of N4-phenyl-quinazoline-4-amine derivatives ARRAY BIOPHARMA INC (US) 2011-04-27 EP disclosed