SCHEMBL6914669

SCHEMBL6914669

N#Cc1ccc([AsH]C(=O)c2cccc(I)c2)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.41
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
HTT P42858 1/20 0.37
GSK3B P49841 2/20 0.36
NOTUM Q6P988 1/20 0.36
PYGL P06737 1/20 0.36
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34
ALB P02768 2/20 0.33
MTOR P42345 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
VNN1 O95497 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL6919537 0.74 XDH (0.44) XDHSLC22A12
SCHEMBL6914592 0.73 XDH (0.37) XDHSLC22A12HTTGSK3BNOTUM
SCHEMBL2830780 0.68 MAP2K1 (0.48) MAP2K1XDHSLC22A12HTTNOTUM
Hydrochloric Acid SCHEMBL7951893 0.67 MAP2K1 (0.47) MAP2K1XDHSLC22A12HTTNOTUM
SCHEMBL3157619 0.66 XDH (0.53) MAP2K1XDHSLC22A12HTTNOTUM
SCHEMBL40282 0.66 CA12 (0.58) KMT2AMTOR
SCHEMBL29532021 0.66 CA12 (0.58) KMT2AMTOR
SCHEMBL13283750 0.65 MAP2K1 (0.51) MAP2K1XDHSLC22A12HTTNOTUM
SCHEMBL6353963 0.65 KMT2A (0.62) HTTKMT2AF2PLGPLAU
SCHEMBL29441888 0.65 GSK3B (0.62) XDHSLC22A12HTTGSK3BMRGPRX4

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 disclosed