SCHEMBL10945613

SCHEMBL10945613

CN(C(=O)C(F)(F)F)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.59
CNR2 P34972 1/20 0.41
TACR1 P25103 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLK1 P53350 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
SCHEMBL6581360 0.83 MCL1 (0.60) SIGMAR1TRPV1KDM4EMEN1KMT2A
SCHEMBL11527854 0.80 SIGMAR1 (0.56) SIGMAR1KDM4EMEN1KMT2A
SCHEMBL1614544 0.79 SIGMAR1 (0.67) SIGMAR1CNR2NR4A1NR4A2NR4A3
SCHEMBL29666490 0.79 SIGMAR1 (0.67) SIGMAR1CNR2NR4A1NR4A2NR4A3
SCHEMBL3626830 0.79 SIGMAR1 (0.67) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL8150820 0.77 SIGMAR1 (0.65) SIGMAR1NR4A1NR4A2NR4A3GAA
SCHEMBL11872011 0.77 SIGMAR1 (0.65) SIGMAR1CNR2NR4A1NR4A2NR4A3
SCHEMBL1839015 0.77 SIGMAR1 (0.65) SIGMAR1GAAKDM4E
SCHEMBL10943508 0.77 SIGMAR1 (0.65) SIGMAR1CNR2NR4A1NR4A2NR4A3
SCHEMBL28259034 0.77 SIGMAR1 (0.65) SIGMAR1CNR2NR4A1NR4A2NR4A3

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
US-4514573-A ANTIVIRAL NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-04-30 US disclosed