SCHEMBL18166317

SCHEMBL18166317

Cc1ccc(-c2cc(OC(=O)NCc3scnc3C)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.37
P2RX2 Q9UBL9 3/20 0.37
PDE10A Q9Y233 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NLRP1 Q9C000 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
P2RX7 Q99572 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
SCHEMBL10243893 0.86 P2RX3 (0.46) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166336 0.85 P2RX3 (0.40) P2RX3P2RX2MAPTHTTPOLB
SCHEMBL18166446 0.84 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18166368 0.83 P2RX3 (0.47) P2RX3P2RX2MEN1KMT2A
SCHEMBL18166275 0.83 P2RX3 (0.38) P2RX3P2RX2MAPTLMNAMEN1
SCHEMBL18166413 0.82 P2RX3 (0.41) P2RX3P2RX2MAPTLMNATP53
SCHEMBL18166384 0.82 P2RX3 (0.36) P2RX3P2RX2
SCHEMBL18166376 0.82 P2RX3 (0.39) P2RX3P2RX2SMN1; SMN2
SCHEMBL18166430 0.82 ADORA2A (0.41) P2RX3P2RX2LMNASMN1; SMN2
SCHEMBL18166448 0.81 P2RX3 (0.35) P2RX3P2RX2MAPTCYP1A2CYP3A4

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