SCHEMBL6817166

SCHEMBL6817166

O=C(Nc1c(Br)cccc1C(=O)O)c1cccc(OCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.59
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.52
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
MAOA P21397 2/20 0.49
NR1H4 Q96RI1 2/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
SMPD1 P17405 1/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL6812445 0.91 MAOB (0.58) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL6349305 0.85 AKR1C2 (0.66) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL6817692 0.84 NR4A2 (0.63) MAOBMEN1KMT2AALDH1A1MAOA
SCHEMBL11265703 0.80 MAOB (0.79) MAOBMAOASMN1; SMN2
SCHEMBL27921583 0.79 MAOB (0.74) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL6358257 0.76 MAOB (0.58) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL6812774 0.75 NR4A2 (0.62) MAOBMEN1KMT2ALMNAMAOA
SCHEMBL6816409 0.75 SMPD1 (0.52) MEN1KMT2AMAPTALDH1A1NR1H4
SCHEMBL11265308 0.75 MAOB (0.77) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL30418494 0.75 MAOB (0.77) MAOBMEN1KMT2AMAPTLMNA

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