SCHEMBL7316157

SCHEMBL7316157

CC(O)c1c([N+](=O)[O-])ccc(F)c1OCCCC(=O)N(C)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.40
PDE3A Q14432 16/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PDE5A O76074 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PTAFR P25105 1/20 0.40
CYP2C19 P33261 1/20 0.40
BLM P54132 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE1C Q14123 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE4A P27815 1/20 0.39

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
SCHEMBL7318435 0.85 PDE3B (0.42) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7308504 0.85 PDE3B (0.41) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7320520 0.82 PDE3B (0.47) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7316164 0.82 KMT2A (0.37) KMT2AKDM4EMEN1ALDH1A1
SCHEMBL7317431 0.81 PDE3B (0.40) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7317245 0.79 PDE3B (0.44) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7310447 0.78 PDE3B (0.55) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL10377348 0.76 PDE3B (0.52) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7315555 0.75 ALDH1A1 (0.42) PDE3BPDE3AKMT2AKDM4EMEN1
SCHEMBL7306556 0.75 PDE3B (0.45) PDE3BPDE3AKMT2AKDM4EMEN1

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed