SCHEMBL18166362

SCHEMBL18166362

Cc1ccc(-c2cc(OC(=O)NC(C)c3nccs3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.41
P2RX2 Q9UBL9 2/20 0.41
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CSF1R P07333 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NLRP1 Q9C000 1/20 0.32
BMPR1B O00238 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 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
SCHEMBL18166450 0.88 P2RX3 (0.54) P2RX3P2RX2POLBSMN1; SMN2GAA
SCHEMBL18166396 0.88 P2RX3 (0.39) P2RX3P2RX2POLBSMN1; SMN2GAA
SCHEMBL18166339 0.88 P2RX3 (0.48) P2RX3P2RX2POLBSMN1; SMN2GAA
SCHEMBL18166418 0.87 P2RX3 (0.39) P2RX3P2RX2POLBSMN1; SMN2GAA
SCHEMBL18166451 0.87 P2RX3 (0.45) P2RX3P2RX2POLBSMN1; SMN2GAA
SCHEMBL18166324 0.86 P2RX3 (0.37) P2RX3P2RX2SMN1; SMN2NPC1HCRTR1
SCHEMBL10243326 0.86 P2RX3 (0.55) P2RX3P2RX2POLBSMN1; SMN2GAA
SCHEMBL18166300 0.86 P2RX3 (0.46) P2RX3P2RX2POLBSMN1; SMN2GAA
SCHEMBL18166348 0.85 P2RX3 (0.41) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166279 0.84 P2RX3 (0.42) P2RX3P2RX2MAPTLMNATP53

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