SCHEMBL18166451

SCHEMBL18166451

COCc1nnnn1-c1cc(OC(=O)NC(C)c2nccs2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.45
P2RX2 Q9UBL9 1/20 0.45
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BMPR1B O00238 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
GAK O14976 1/20 0.32
EPHB6 O15197 1/20 0.32
RIPK2 O43353 1/20 0.32

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
SCHEMBL18166300 0.92 P2RX3 (0.46) P2RX3P2RX2NPC1RAB9AGAA
SCHEMBL18166450 0.92 P2RX3 (0.54) P2RX3P2RX2NPC1RAB9AGAA
SCHEMBL18166339 0.91 P2RX3 (0.48) P2RX3P2RX2NPC1RAB9AGAA
SCHEMBL10244038 0.88 P2RX3 (0.59) P2RX3P2RX2NPC1RAB9A
SCHEMBL18166362 0.87 P2RX3 (0.41) P2RX3P2RX2NPC1RAB9AGAA
SCHEMBL18166396 0.85 P2RX3 (0.39) P2RX3P2RX2NPC1RAB9AGAA
SCHEMBL18166418 0.84 P2RX3 (0.39) P2RX3P2RX2NPC1RAB9AGAA
SCHEMBL18166426 0.84 P2RX3 (0.65) P2RX3P2RX2
SCHEMBL18036351 0.83 P2RX3 (0.44) P2RX3P2RX2GAALMNAALDH1A1
SCHEMBL18036335 0.83 P2RX3 (0.44) P2RX3P2RX2

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed