SCHEMBL18166392

SCHEMBL18166392

CCc1nnnn1-c1cc(OC(=O)NCc2ccncc2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
EPHX1 P07099 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
MMP13 P45452 1/20 0.40
MAPK14 Q16539 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
RECQL P46063 1/20 0.37
PPID Q08752 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL18166332 0.90 EPHX1 (0.52) P2RX3P2RX2EPHX1CYP3A4MMP13
SCHEMBL18166272 0.89 P2RX3 (0.47) P2RX3P2RX2EPHX1SMN1; SMN2CYP3A4
SCHEMBL18166351 0.88 P2RX3 (0.46) P2RX3P2RX2EPHX1SMN1; SMN2LMNA
SCHEMBL18166329 0.87 P2RX3 (0.46) P2RX3P2RX2EPHX1SMN1; SMN2LMNA
SCHEMBL18166435 0.87 P2RX3 (0.48) P2RX3P2RX2EPHX1SMN1; SMN2LMNA
SCHEMBL18166398 0.86 P2RX3 (0.57) P2RX3P2RX2EPHX1SMN1; SMN2LMNA
SCHEMBL18166323 0.86 P2RX3 (0.47) P2RX3P2RX2EPHX1SMN1; SMN2CYP3A4
SCHEMBL10244646 0.85 P2RX3 (0.62) P2RX3P2RX2SMN1; SMN2MMP2CYP3A4
SCHEMBL18166414 0.85 P2RX3 (0.48) P2RX3P2RX2SMN1; SMN2L3MBTL1LMNA
SCHEMBL18166378 0.85 P2RX3 (0.48) P2RX3P2RX2SMN1; SMN2L3MBTL1LMNA

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