SCHEMBL9830708

SCHEMBL9830708

CCOc1cc2c(C)nc(O)c([N+](=O)[O-])c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NTSR1 P30989 1/20 0.40
DPP4 P27487 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP1 P22413 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL7412702 0.91 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL10787345 0.89 PDE3B (0.48) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7446369 0.82 MEN1 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7428283 0.82 VCP (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7440312 0.80 NCEH1 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7444368 0.78 NTSR1 (0.45) MEN1KMT2ANTSR1MAPTTDP1
SCHEMBL7443770 0.77 KMT2A (0.47) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7414190 0.73 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL7437559 0.73 KMT2A (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7444737 0.73 PDE3B (0.44) MEN1KMT2AALDH1A1GAADPP4

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-0252721-B1 4-NITROGEN SUBSTITUTED ISOQUINOLINOL COMPOUNDS HAVING CARDIOTONIC, PHOSPHODIESTERASE FRACTION III INHIBITING PROPERTIES AND/OR RENAL VASODILATING PROPERTIES ORTHO PHARMACEUTICAL CORPORATION (US) 1991-10-02 EP claimed
EP-0252721-A1 4-Nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-13 EP claimed
US-4714705-A 4-nitrogen substituted isoquinolinol compounds having cardiotonic, phosphodiesterase fraction III inhibiting properties and/or renal vasodilating properties ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-22 US claimed
EP-0252721-B1 4-NITROGEN SUBSTITUTED ISOQUINOLINOL COMPOUNDS HAVING CARDIOTONIC, PHOSPHODIESTERASE FRACTION III INHIBITING PROPERTIES AND/OR RENAL VASODILATING PROPERTIES ORTHO PHARMACEUTICAL CORPORATION (US) 1991-10-02 EP disclosed