SCHEMBL7306554

SCHEMBL7306554

O=Cc1cc(OCC(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BACE1 P56817 3/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
PSMD14 O00487 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7318422 0.87 BACE1 (0.46) NPC1RAB9ASMN1; SMN2BACE1ALDH1A1
SCHEMBL11013555 0.87 BACE1 (0.46) NPC1RAB9ASMN1; SMN2BACE1ALDH1A1
Hydrochloric Acid SCHEMBL7306561 0.86 BACE1 (0.45) NPC1RAB9ASMN1; SMN2BACE1ALDH1A1
SCHEMBL7309626 0.85 SIRT5 (0.43) BACE1ALDH1A1LMNAMAPTKDM4E
SCHEMBL7317736 0.84 MAPT (0.43) BACE1ALDH1A1LMNAMAPTKDM4E
SCHEMBL19030217 0.83 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2BACE1ALDH1A1
SCHEMBL7321233 0.83 MAPT (0.42) BACE1ALDH1A1MAPTKDM4EMEN1
SCHEMBL7317041 0.83 MAPT (0.42) BACE1ALDH1A1MAPTKDM4EMEN1
SCHEMBL10843127 0.82 MAPT (0.44) BACE1ALDH1A1LMNAMAPTKDM4E
SCHEMBL6529605 0.82 MAPT (0.44) NPC1RAB9ASMN1; SMN2BACE1ALDH1A1

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