SCHEMBL7303053

SCHEMBL7303053

CC(O)c1c(Cl)cc(OCCCCCC(=O)N(C2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PDE3B Q13370 10/20 0.36
PDE3A Q14432 10/20 0.36
PDE2A O00408 5/20 0.36
P2RY12 Q9H244 5/20 0.36
NPSR1 Q6W5P4 1/20 0.35
F2 P00734 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HTR2A P28223 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE5A O76074 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL7315126 0.86 THRB (0.38) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7311762 0.85 PDE3B (0.37) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7321124 0.82 PDE3B (0.43) MEN1KMT2AGAAALDH1A1PDE3B
SCHEMBL7320170 0.81 KMT2A (0.37) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7312687 0.78 PDE3B (0.47) MEN1KMT2AGAAALDH1A1PDE3B
SCHEMBL7319480 0.77 PDE3B (0.44) MEN1KMT2AALDH1A1SMN1; SMN2PDE3B
SCHEMBL7347456 0.76 PDE3B (0.45) MEN1KMT2AGAAALDH1A1PDE3B
SCHEMBL7316866 0.76 ALDH1A1 (0.39) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7310329 0.75 HPGD (0.44) MEN1KMT2AGAAALDH1A1PDE3B
SCHEMBL7306819 0.74 ALDH1A1 (0.38) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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