SCHEMBL9694044

SCHEMBL9694044

CN(C(=O)C1CCN(c2ccc([N+](=O)[O-])c(/C=C3/NC(=O)NC3=O)c2)CC1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
MAPT P10636 11/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 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
SCHEMBL9694051 1.00 PDE3B (0.49) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL9693771 0.91 MAPT (0.42) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL9693775 0.91 MAPT (0.42) PDE3BPDE3AMAPTALDH1A1KDM4E
SCHEMBL10747326 0.85 PDE3B (0.52) PDE3BPDE3AMAPTALDH1A1HPGD
SCHEMBL9691948 0.81 HPGD (0.51) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9691943 0.81 HPGD (0.51) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9693529 0.81 MAPT (0.61) MAPTALDH1A1KDM4ETP53MEN1
SCHEMBL9693533 0.81 MAPT (0.61) MAPTALDH1A1KDM4ETP53MEN1
SCHEMBL9693493 0.80 MAPT (0.51) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL9693489 0.80 MAPT (0.51) MAPTALDH1A1KDM4EGAAHPGD

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-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US disclosed