SCHEMBL18166328

SCHEMBL18166328

Cc1ccc(-c2cc(OC(=O)NC(C)c3cnc(N)nc3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
MAP3K5 Q99683 7/20 0.33
ACHE P22303 1/20 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
GPR139 Q6DWJ6 1/20 0.31
ACACB O00763 2/20 0.30
ACACA Q13085 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18166278 0.91 P2RX3 (0.41) P2RX3P2RX2MAP3K5LMNATP53
SCHEMBL18166279 0.90 P2RX3 (0.42) P2RX3P2RX2MAP3K5LMNATP53
SCHEMBL18166315 0.90 P2RX3 (0.40) P2RX3P2RX2MAP3K5LMNATP53
SCHEMBL18166342 0.90 P2RX3 (0.41) P2RX3P2RX2MAP3K5LMNATP53
SCHEMBL18166348 0.86 P2RX3 (0.41) P2RX3P2RX2MAP3K5LMNATP53
SCHEMBL18166439 0.86 P2RX3 (0.39) P2RX3P2RX2MAP3K5LMNATP53
SCHEMBL10243954 0.86 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL18166374 0.84 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166432 0.84 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166362 0.84 P2RX3 (0.41) P2RX3P2RX2MAP3K5LMNATP53

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