SCHEMBL2427296

SCHEMBL2427296

COc1ccc(-c2ncc3cc(OC)ccc3c2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
DAPK3 O43293 1/20 0.44
PLK1 P53350 1/20 0.44
HASPIN Q8TF76 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
PLK2 Q9NYY3 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HNF4A P41235 1/20 0.42
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL2432790 0.90 PIM1 (0.43) PIM1PIM3NPC1RAB9ACASP3
SCHEMBL2433136 0.87 PIM1 (0.41) PIM1PIM3NPC1RAB9ACASP3
SCHEMBL14871602 0.79 MAPT (0.44) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL12324331 0.79 MAPT (0.44) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL2432112 0.78 MAPT (0.49) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL2429295 0.78 MAPT (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL2430190 0.76 NPC1 (0.53) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL2425567 0.76 NPC1 (0.53) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL2430174 0.76 NPC1 (0.53) NPC1RAB9ACASP3SENP7MAPT
SCHEMBL2493258 0.76 NPC1 (0.53) NPC1RAB9ACASP3SENP7MAPT

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