SCHEMBL12928124

SCHEMBL12928124

Bc1ccc2ncc(C(=O)O)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.62
PSMD14 O00487 1/20 0.43
P4HA1 P13674 3/20 0.40
P4HTM Q9NXG6 2/20 0.40
CFTR P13569 1/20 0.39
MIF P14174 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 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
SCHEMBL10465639 0.85 MGAM (0.70) MGAMPSMD14P4HA1P4HTMMIF
SCHEMBL12184392 0.81 ALOX15 (0.52) MGAMPSMD14ALDH1A1HPGDHSD17B10
SCHEMBL61876 0.81 MGAM (0.64) MGAMPSMD14P4HA1P4HTMCFTR
Hydrochloric Acid SCHEMBL2749769 0.79 MGAM (0.62) MGAMPSMD14P4HA1P4HTMCFTR
SCHEMBL845818 0.79 MGAM (0.62) MGAMPSMD14P4HA1P4HTMTDP1
SCHEMBL9508 0.79 MGAM (0.62) MGAMPSMD14P4HA1P4HTMALDH1A1
SCHEMBL7728789 0.79 MGAM (0.62) MGAMPSMD14TDP1ALDH1A1HPGD
SCHEMBL2306751 0.79 MGAM (0.62) MGAMPSMD14P4HA1P4HTMNAPRT
SCHEMBL13386768 0.79 MGAM (0.62) MGAMPSMD14P4HA1P4HTMMIF
Hydrochloric Acid SCHEMBL6085748 0.78 MGAM (0.60) MGAMPSMD14P4HA1P4HTMTDP1

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-2011022439-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. (US) 2011-02-24 WO disclosed