SCHEMBL7307518

SCHEMBL7307518

O=Cc1c([N+](=O)[O-])ccc(OCC(=O)NN2CCCC3CCCCC32)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
FAAH O00519 3/20 0.38
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35

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 0.85 SMN1; SMN2 (0.43) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7316430 0.84 SMN1; SMN2 (0.42) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10374595 0.80 LMNA (0.45) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10376143 0.78 SMN1; SMN2 (0.39) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10374618 0.77 ALDH1A1 (0.37) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7307522 0.73 MAPT (0.35) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7317738 0.73 MEN1 (0.49) KMT2AALDH1A1POLBMEN1KDM4E
SCHEMBL7317948 0.73 KDM4E (0.39) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7309468 0.73 ALDH1A1 (0.37) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10374591 0.73 KDM4E (0.40) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A

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