SCHEMBL7315792

SCHEMBL7315792

O=Cc1c([N+](=O)[O-])ccc(F)c1OCCCC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 2/20 0.41
ALDH1A1 P00352 6/20 0.33
VCAM1 P19320 1/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BACE1 P56817 2/20 0.31

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
SCHEMBL7319027 0.90 FFAR4 (0.46) FFAR4FFAR1ATMLMNA
Hydrochloric Acid SCHEMBL7315798 0.89 FFAR4 (0.46) FFAR4FFAR1ATMLMNA
SCHEMBL7310206 0.84 MAPT (0.43) FFAR4FFAR1ALDH1A1MAPTKMT2A
SCHEMBL7307717 0.83 ALDH1A1 (0.37) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL7307845 0.83 MAPT (0.37) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL7312503 0.82 ALDH1A1 (0.37) ALDH1A1VCAM1MAPTKMT2ASMN1; SMN2
SCHEMBL7307818 0.81 GRIN2D (0.34) FFAR4FFAR1ALDH1A1MAPT
SCHEMBL7314687 0.79 ALDH1A1 (0.38) ALDH1A1MAPTGAACYP1A2CYP3A4
SCHEMBL7308504 0.79 PDE3B (0.41) FFAR4FFAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL7312039 0.78 ALDH1A1 (0.39) ALDH1A1MAPTGAACYP1A2CYP3A4

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