SCHEMBL6812445

SCHEMBL6812445

O=C(Nc1c(Br)cccc1C(=O)O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MAOA P21397 1/20 0.58
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.48
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
FFAR1 O14842 1/20 0.47
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL6817166 0.91 MAOB (0.59) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6358257 0.85 MAOB (0.58) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6812774 0.84 NR4A2 (0.62) MAOBMAOAMEN1KMT2ALMNA
SCHEMBL8991408 0.80 MAOB (0.79) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6352882 0.77 AKR1C2 (0.55) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6349305 0.76 AKR1C2 (0.66) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL28317001 0.76 MAOB (0.79) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6817692 0.75 NR4A2 (0.63) MAOBMAOAMEN1KMT2AALDH1A1
SCHEMBL28232014 0.74 MAOB (0.73) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL6030587 0.73 GPR132 (0.59) MAOBMAOAMEN1KMT2AMAPT

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
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed