SCHEMBL18166409

SCHEMBL18166409

CCc1nnnn1-c1cc(OC(=O)NC(C)c2csc(C)n2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.54
P2RX2 Q9UBL9 1/20 0.54
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 2/20 0.32
TRPV1 Q8NER1 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
SCHEMBL18166407 0.88 P2RX3 (0.41) P2RX3P2RX2LMNAMAPTMEN1
SCHEMBL10244804 0.87 P2RX3 (0.71) P2RX3P2RX2
SCHEMBL18166363 0.84 P2RX3 (0.57) P2RX3P2RX2LMNAMAPTTRPV1
SCHEMBL18166400 0.84 P2RX3 (0.61) P2RX3P2RX2LMNAMAPTMAPK1
SCHEMBL18166461 0.84 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL18166450 0.84 P2RX3 (0.54) P2RX3P2RX2LMNAMAPTNPC1
SCHEMBL18166326 0.84 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166267 0.84 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166334 0.84 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL18166280 0.84 P2RX3 (0.56) P2RX3P2RX2LMNAMAPTMEN1

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