SCHEMBL7409180

SCHEMBL7409180

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
KDM4E B2RXH2 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
PRKDC P78527 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7414190 0.87 KDM4E (0.39) MAPTKDM4ETDP1BLMKMT2A
SCHEMBL7412702 0.79 KDM4E (0.44) MAPTKDM4ETDP1BLMKMT2A
SCHEMBL7439631 0.77 MAPT (0.40) MAPTKDM4ETDP1BLMKMT2A
SCHEMBL7409625 0.74 KMT2A (0.45) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL7411233 0.74 ABCG2 (0.48) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL7441183 0.74 LMNA (0.39) MAPTKDM4ETDP1BLMKMT2A
SCHEMBL7440312 0.73 NCEH1 (0.40) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL7437559 0.73 KMT2A (0.41) MAPTKDM4ETDP1BLMKMT2A
SCHEMBL7413138 0.72 ALDH1A1 (0.41) MAPTKDM4EKMT2AMEN1LMNA
SCHEMBL7410681 0.72 KEAP1 (0.41) MAPTKDM4ETDP1BLMKMT2A

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
US-4843077-A Isoquinoline derivatives having renal vasodilating properties and/or cardiotonic properties and/or phosphodiesterase inhibiting properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-06-27 US claimed
US-4843077-A Isoquinoline derivatives having renal vasodilating properties and/or cardiotonic properties and/or phosphodiesterase inhibiting properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-06-27 US disclosed