SCHEMBL5207410

SCHEMBL5207410

Cc1cnc(-n2ccc(F)n2)nc1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
LRRK2 Q5S007 1/20 0.41
VNN1 O95497 7/20 0.41
SRD5A2 P31213 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ADORA1 P30542 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 1/20 0.39
GAA P10253 2/20 0.38
P2RX7 Q99572 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL5206965 0.91 CNR2 (0.47) CNR2LRRK2VNN1SRD5A2MEN1
SCHEMBL5206266 0.78 KCNQ3 (0.54) CNR2VNN1SRD5A2MEN1ALDH1A1
SCHEMBL5203501 0.76 CNR2 (0.51) CNR2LRRK2VNN1SRD5A2MEN1
SCHEMBL19700515 0.71 CNR2 (0.47) CNR2LRRK2VNN1SRD5A2MEN1
SCHEMBL27443558 0.69 MEN1 (0.52) CNR2VNN1SRD5A2MEN1ALDH1A1
SCHEMBL5209985 0.67 HSP90AA1 (0.39) MEN1CYP1A2CYP3A4MAPTKMT2A
SCHEMBL7873623 0.67 ALDH1A1 (0.44) MEN1ALDH1A1CYP1A2MAPTKMT2A
SCHEMBL1237189 0.66 SRD5A2 (0.79) CNR2VNN1SRD5A2MEN1ALDH1A1
SCHEMBL9169211 0.66 SRD5A2 (0.53) CNR2LRRK2VNN1SRD5A2MEN1
SCHEMBL10765363 0.66 ALDH1A1 (0.50) CNR2LRRK2VNN1SRD5A2MEN1

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-1036066-B1 SUBSTITUTED PYRIMIDINE AND PYRIDINE HERBICIDES MID AMERICA COMMERCIALIZATION (US) 2007-04-18 EP claimed