SCHEMBL7311758

SCHEMBL7311758

Cc1cc(C=O)c([N+](=O)[O-])c(OCCCCCCC(=O)NN2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 13/20 0.41
KDM4E B2RXH2 6/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL7310614 0.85 CNR1 (0.43) CNR2CNR1ALDH1A1KDM4EMEN1
SCHEMBL7312384 0.85 CNR1 (0.42) CNR2CNR1ALDH1A1KDM4EMEN1
SCHEMBL7318982 0.82 TSHR (0.43) ALDH1A1KDM4EKMT2AMAPTHTT
Hydrochloric Acid SCHEMBL7309503 0.81 TSHR (0.42) ALDH1A1KDM4EKMT2AMAPTHTT
SCHEMBL7309501 0.80 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AMAPTHTT
SCHEMBL7315249 0.79 TNF (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7309407 0.78 TSHR (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7311756 0.77 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7315760 0.77 CNR1 (0.40) CNR2CNR1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7310273 0.77 TSHR (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA

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