SCHEMBL2174368

SCHEMBL2174368

O=C(O)NCc1ccc(Nc2nc(N3CCCCC3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
POLB P06746 4/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SERPINE1 P05121 1/20 0.46
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BTK Q06187 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL2174360 1.00 MAPT (0.50) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL2190432 0.87 BRD4 (0.45) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL16087500 0.83 MAPT (0.46) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL16087499 0.83 MAPT (0.46) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL14321281 0.80 ALDH1A1 (0.46) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL14321285 0.80 ALDH1A1 (0.46) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL27226322 0.80 MAPT (0.43) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL30802492 0.79 MAPT (0.56) MAPTPOLBMAPK1TDP1HTT
SCHEMBL16087501 0.79 MAPT (0.45) MAPTALDH1A1POLBMAPK1TDP1
SCHEMBL27226688 0.76 MAPT (0.44) MAPTALDH1A1POLBMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed