SCHEMBL18166407

SCHEMBL18166407

Cc1ccc(-c2cc(OC(=O)NC(C)c3csc(C)n3)cc(-n3nnnc3C(C)C)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
MAPK1 P28482 2/20 0.35
LMNA P02545 4/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NLRP1 Q9C000 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
SCHEMBL18166409 0.88 P2RX3 (0.54) P2RX3P2RX2MAPK1LMNAMEN1
SCHEMBL18166391 0.86 P2RX3 (0.42) P2RX3P2RX2MAPK1LMNAMEN1
SCHEMBL18166324 0.86 P2RX3 (0.37) P2RX3P2RX2MAPK1LMNAMEN1
SCHEMBL18166419 0.84 P2RX3 (0.41) P2RX3P2RX2LMNAMAPTTP53
SCHEMBL18036337 0.84 P2RX3 (0.39) P2RX3P2RX2LMNAMEN1KMT2A
SCHEMBL18166362 0.83 P2RX3 (0.41) P2RX3P2RX2LMNAMAPTNPC1
SCHEMBL18166322 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166374 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166432 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166279 0.82 P2RX3 (0.42) P2RX3P2RX2LMNAMAPTTP53

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