SCHEMBL7312404

SCHEMBL7312404

CC(=O)c1cc(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7318784 0.90 PDE3B (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7313259 0.84 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7317629 0.84 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7315992 0.74 PDE3B (0.49) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7309568 0.74 PDE3B (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7311180 0.74 PDE3B (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL10377117 0.74 PDE3B (0.42) ALDH1A1MAPTSMN1; SMN2MAPK1KMT2A
SCHEMBL10375666 0.73 PDE3B (0.47) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10376732 0.73 PDE3B (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL7318725 0.72 LMNA (0.54) ALDH1A1SMN1; SMN2NPC1MAPK1KMT2A

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