SCHEMBL2432790

SCHEMBL2432790

C#Cc1ccc(-c2ncc3cc(OC)ccc3c2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
DAPK3 O43293 1/20 0.39
PLK1 P53350 1/20 0.39
HASPIN Q8TF76 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
HNF4A P41235 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 3/20 0.35
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2427296 0.90 PIM1 (0.48) PIM1PIM3DAPK3PLK1HASPIN
SCHEMBL2433136 0.86 PIM1 (0.41) PIM1PIM3DAPK3PLK1HASPIN
SCHEMBL2428650 0.72 CASR (0.42) PIM1PIM3MAPTALDH1A1KDM4E
SCHEMBL12324341 0.71 KDM4E (0.44) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL14867342 0.70 CASR (0.40) PIM1PIM3MAPTALDH1A1KDM4E
SCHEMBL12324331 0.70 MAPT (0.44) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL14871602 0.70 MAPT (0.44) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL2429295 0.69 MAPT (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL2432112 0.69 MAPT (0.49) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL2427232 0.68 LMNA (0.46) PIM1PIM3MAPTALDH1A1KDM4E

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-2542239-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2013-01-09 EP disclosed
WO-2011107709-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2011-09-09 WO disclosed