SCHEMBL7044096

SCHEMBL7044096

O=[C]NNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CASP7 P55210 1/20 0.53
MAPT P10636 7/20 0.51
GAA P10253 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
POLB P06746 2/20 0.50
PKM P14618 1/20 0.47
KAT2B Q92831 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KCNMA1 Q12791 1/20 0.44

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
SCHEMBL10433483 0.81 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL513737 0.81 MAPK1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL12655445 0.77 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL728448 0.76 MEN1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL397773 0.76 MAPK1 (0.77) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL28888390 0.76 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL9062960 0.75 MEN1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1CASP7
SCHEMBL1993508 0.75 MEN1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1CASP7
Ammonia Solution, Strong SCHEMBL2832169 0.75 MEN1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1CASP7
Ammonia Solution, Strong SCHEMBL9616083 0.75 MEN1 (0.59) ALDH1A1MAPK1L3MBTL1TDP1CASP7

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
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed