SCHEMBL7308660

SCHEMBL7308660

Cc1ccc([N+](=O)[O-])c(C=O)c1OCCCCC(=O)N(C(C)O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 3/20 0.34
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 3/20 0.32
PDE2A O00408 2/20 0.32
P2RY12 Q9H244 2/20 0.32

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
SCHEMBL7310674 0.85 SMN1; SMN2 (0.35) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL7308663 0.84 PDE3B (0.38) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL7311384 0.83 PDE3B (0.40) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL10374468 0.82 PDE3B (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1PDE3B
SCHEMBL7312110 0.81 KMT2A (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL10374493 0.81 PDE3B (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1PDE3B
SCHEMBL7308503 0.81 PDE3B (0.38) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL10375972 0.80 PDE3B (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1PDE3B
SCHEMBL10375825 0.79 PDE3B (0.45) MEN1KMT2AALDH1A1PDE3BPDE3A
SCHEMBL7307466 0.79 PDE3B (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1PDE3B

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