SCHEMBL254682

SCHEMBL254682

Nc1ccc(-c2ccc(C(=O)O)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.55
HIF1A Q16665 3/20 0.54
P4HTM Q9NXG6 4/20 0.52
P4HA1 P13674 1/20 0.52
MIF P14174 1/20 0.52
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL13731115 0.88 P4HTM (0.64) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL1951045 0.85 MAP4K4 (0.55) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL71034 0.84 HIF1A (0.55) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL29929320 0.84 HIF1A (0.55) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL7946346 0.84 MAP4K4 (0.48) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL31359466 0.84 P4HTM (0.59) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL249720 0.84 P4HTM (0.59) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL28654391 0.82 P4HTM (0.70) MAP4K4P4HTMP4HA1MIFKDM4E
Hydrochloric Acid SCHEMBL28470042 0.82 HIF1A (0.54) MAP4K4HIF1AP4HTMP4HA1MIF
SCHEMBL11044314 0.82 P4HTM (0.53) MAP4K4HIF1AP4HTMP4HA1MIF

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-2012031298-A2 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2012-03-08 WO disclosed