SCHEMBL18166348

SCHEMBL18166348

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccnc(C)c3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.41
P2RX2 Q9UBL9 3/20 0.41
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
PORCN Q9H237 3/20 0.34
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NLRP1 Q9C000 1/20 0.32
PRCP P42785 1/20 0.32
MAP3K5 Q99683 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
SCHEMBL18166342 0.88 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166279 0.87 P2RX3 (0.42) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166328 0.86 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL10243836 0.86 P2RX3 (0.55) P2RX3P2RX2ROCK2ROCK1MAPK1
SCHEMBL18166362 0.85 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166278 0.85 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166315 0.85 P2RX3 (0.40) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166439 0.84 P2RX3 (0.39) P2RX3P2RX2ROCK2ROCK1LMNA
SCHEMBL18166432 0.84 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166374 0.84 P2RX3 (0.59) 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