SCHEMBL7946346

SCHEMBL7946346

Nc1ccc(-c2ccc(C(=O)O)nc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.48
P4HTM Q9NXG6 5/20 0.47
P4HA1 P13674 2/20 0.47
MIF P14174 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
LDHA P00338 2/20 0.43
HIF1A Q16665 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
ALPL P05186 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL31359466 0.87 P4HTM (0.59) MAP4K4P4HTMP4HA1MIFKDM4E
SCHEMBL249720 0.87 P4HTM (0.59) MAP4K4P4HTMP4HA1MIFKDM4E
Hydrochloric Acid SCHEMBL21485420 0.85 P4HTM (0.57) MAP4K4P4HTMP4HA1MIFKDM4E
SCHEMBL254682 0.84 MAP4K4 (0.55) MAP4K4P4HTMP4HA1MIFKDM4E
Methylamine SCHEMBL3235636 0.83 P4HTM (0.55) MAP4K4P4HTMP4HA1MIFKDM4E
SCHEMBL7942053 0.81 MAPK1 (0.53) KDM4EHIF1AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL4558391 0.79 MAP4K4 (0.55) MAP4K4P4HTMP4HA1MIFKDM4E
SCHEMBL13731115 0.79 P4HTM (0.64) MAP4K4P4HTMP4HA1MIFKDM4E
SCHEMBL30337692 0.77 METAP2 (0.45) KDM4EALDH1A1SMN1; SMN2KMT2ATDP1
SCHEMBL8974216 0.77 METAP2 (0.45) KDM4EALDH1A1SMN1; SMN2KMT2ATDP1

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-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed