SCHEMBL18166396

SCHEMBL18166396

Cc1ccc(-c2cc(OC(=O)NC(C)c3nccs3)cc(-n3nnnc3C(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.39
P2RX2 Q9UBL9 4/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSA P10619 4/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
DDR2 Q16832 2/20 0.32
MAPK14 Q16539 1/20 0.32
FFAR1 O14842 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL18166362 0.88 P2RX3 (0.41) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL10243462 0.87 P2RX3 (0.53) P2RX3P2RX2NPC1RAB9ANAMPT
SCHEMBL18166450 0.86 P2RX3 (0.54) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL18166339 0.85 P2RX3 (0.48) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL18166385 0.85 P2RX3 (0.41) P2RX3P2RX2HCRTR1HCRTR2MAPT
SCHEMBL18166418 0.85 P2RX3 (0.39) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL18166451 0.85 P2RX3 (0.45) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL18166338 0.84 P2RX3 (0.57) P2RX3P2RX2
SCHEMBL18166300 0.83 P2RX3 (0.46) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL18036311 0.82 P2RX3 (0.39) P2RX3P2RX2MAPTLMNAALDH1A1

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