SCHEMBL18166378

SCHEMBL18166378

CCc1nnnn1-c1cc(OC(=O)NCc2ccccn2)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.48
P2RX2 Q9UBL9 1/20 0.48
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL18166398 0.89 P2RX3 (0.57) P2RX3P2RX2RAB9ANPC1SMN1; SMN2
SCHEMBL18166444 0.86 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL10244645 0.86 P2RX3 (0.60) P2RX3P2RX2RAB9ANPC1SMN1; SMN2
SCHEMBL18166437 0.85 P2RX3 (0.45) P2RX3P2RX2SMN1; SMN2MAPTL3MBTL1
SCHEMBL18166392 0.85 P2RX3 (0.50) P2RX3P2RX2SMN1; SMN2MAPTL3MBTL1
SCHEMBL18166311 0.85 P2RX3 (0.49) P2RX3P2RX2MAPTTP53LMNA
SCHEMBL18166433 0.84 P2RX3 (0.49) P2RX3P2RX2MAPTL3MBTL1ADORA2A
SCHEMBL18166332 0.84 EPHX1 (0.52) P2RX3P2RX2RAB9ANPC1MAPT
SCHEMBL18166272 0.83 P2RX3 (0.47) P2RX3P2RX2SMN1; SMN2MAPTKDM4E
SCHEMBL18166400 0.83 P2RX3 (0.61) P2RX3P2RX2MAPTTP53LMNA

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