SCHEMBL7124908

SCHEMBL7124908

N#Cc1ccc([AsH]C(=O)c2onc3ccc([N+](=O)[O-])cc23)c(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.38
RAD51 Q06609 1/20 0.37
EIF4A1 P60842 9/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ABCC9 O60706 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PYGL P06737 1/20 0.34

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
SCHEMBL7061066 0.78
SCHEMBL7131039 0.73 MCL1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL7064643 0.72 MAOB (0.41) ALDH1A1MAOAMAOB
SCHEMBL6833928 0.70 HIF1A (0.47) MEN1KMT2AMAOAMAOBPYGL
SCHEMBL7067539 0.65 ALB (0.33)
SCHEMBL7129786 0.65 ALB (0.42) ALDH1A1
SCHEMBL6814346 0.65 ALB (0.42) MEN1KMT2ATDP1
SCHEMBL6822703 0.64 ALB (0.48) ALDH1A1PYGL
SCHEMBL2772094 0.64 DTYMK (0.57) MEN1KMT2AMAOAMAOB
SCHEMBL31431111 0.64 DTYMK (0.57) MEN1KMT2AMAOAMAOB

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed