SCHEMBL7316430

SCHEMBL7316430

CC(O)c1c([N+](=O)[O-])ccc(OCC(=O)NN2CCCC3CCCCC32)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.42
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 2/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 3/20 0.37
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SERPINE1 P05121 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7312566 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7307518 0.84 KMT2A (0.43) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7316434 0.76 MAPT (0.35) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7314458 0.75 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7311336 0.74 SIRT3 (0.36) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL10374595 0.73 LMNA (0.45) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL10376143 0.71 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7319891 0.70 KDM4E (0.37) SMN1; SMN2ALDH1A1KMT2APOLBGAA
SCHEMBL7345715 0.68 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1
SCHEMBL7309468 0.67 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1KMT2ARAB9ANPC1

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