SCHEMBL18166336

SCHEMBL18166336

Cc1ccc(-c2cc(OC(=O)NCc3nccs3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 1/20 0.33
SLC6A3 Q01959 1/20 0.32
POLB P06746 1/20 0.32
NTRK1 P04629 1/20 0.32
GPR88 Q9GZN0 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
SCHEMBL10244013 0.86 P2RX3 (0.50) P2RX3P2RX2
SCHEMBL18166368 0.85 P2RX3 (0.47) P2RX3P2RX2
SCHEMBL18166317 0.85 P2RX3 (0.37) P2RX3P2RX2HTTMAPTSMN1; SMN2
SCHEMBL18166362 0.84 P2RX3 (0.41) P2RX3P2RX2HTTMAPTSMN1; SMN2
SCHEMBL18166413 0.84 P2RX3 (0.41) P2RX3P2RX2HTTMAPTSMN1; SMN2
SCHEMBL18166446 0.84 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18166430 0.83 ADORA2A (0.41) P2RX3P2RX2SMN1; SMN2
SCHEMBL18166384 0.82 P2RX3 (0.36) P2RX3P2RX2
SCHEMBL18166320 0.82 P2RX3 (0.37) P2RX3P2RX2HTTMAPT
SCHEMBL18166376 0.82 P2RX3 (0.39) P2RX3P2RX2SMN1; SMN2

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