SCHEMBL7439631

SCHEMBL7439631

COc1cc2c(C)nc(OC(C)=O)c([N+](=O)[O-])c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
BLM P54132 1/20 0.40
VCP P55072 1/20 0.40
PKM P14618 2/20 0.38
LMNA P02545 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TNFSF11 O14788 1/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7446369 0.92 MEN1 (0.40) MAPTKDM4ETDP1LMNACASP3
SCHEMBL7444737 0.89 PDE3B (0.44) MAPTLMNACASP3SENP8SENP7
SCHEMBL7437559 0.85 KMT2A (0.41) MAPTKDM4ETDP1BLMVCP
SCHEMBL7441183 0.83 LMNA (0.39) MAPTKDM4ETDP1BLMPKM
Water SCHEMBL7437829 0.82 LMNA (0.37) MAPTKDM4ETDP1BLMVCP
Water SCHEMBL7437823 0.82 LMNA (0.37) MAPTKDM4ETDP1BLMVCP
SCHEMBL7428283 0.81 VCP (0.39) MAPTKDM4ETDP1BLMVCP
SCHEMBL7443752 0.80 KDM4E (0.36) MAPTKDM4ETDP1BLMPKM
SCHEMBL7440312 0.80 NCEH1 (0.40) KDM4ELMNACASP3SENP8SENP7
SCHEMBL7412702 0.79 KDM4E (0.44) MAPTKDM4ETDP1BLMPKM

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
US-4880817-A O-functionalized derivatives of substituted isoquinolin-3-ols having cardiotonic and/or phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed