SCHEMBL18166342

SCHEMBL18166342

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccc(C)nc3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.41
P2RX2 Q9UBL9 9/20 0.41
MAP3K5 Q99683 3/20 0.33
GPR139 Q6DWJ6 2/20 0.33
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
ACACB O00763 2/20 0.32
ACACA Q13085 1/20 0.32
PHGDH O43175 1/20 0.32
KIT P10721 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL18166328 0.90 P2RX3 (0.41) P2RX3P2RX2MAP3K5GPR139LMNA
SCHEMBL18166278 0.89 P2RX3 (0.41) P2RX3P2RX2MAP3K5GPR139LMNA
SCHEMBL18166284 0.89 MAP3K5 (0.35) P2RX3P2RX2MAP3K5
SCHEMBL18166279 0.89 P2RX3 (0.42) P2RX3P2RX2MAP3K5GPR139LMNA
SCHEMBL18166315 0.88 P2RX3 (0.40) P2RX3P2RX2MAP3K5GPR139LMNA
SCHEMBL18166348 0.88 P2RX3 (0.41) P2RX3P2RX2MAP3K5GPR139LMNA
SCHEMBL18166439 0.86 P2RX3 (0.39) P2RX3P2RX2MAP3K5GPR139LMNA
SCHEMBL10243886 0.86 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL18166376 0.84 P2RX3 (0.39) P2RX3P2RX2KIT
SCHEMBL18166432 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