SCHEMBL4747324

SCHEMBL4747324

COc1ccc(C2(c3cccc(C(F)(F)F)c3)NC(=O)CS2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
KIF11 P52732 1/20 0.38
MAOB P27338 1/20 0.38
CLK1 P49759 1/20 0.37
EDNRA P25101 1/20 0.37
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
GAA P10253 2/20 0.37
PTGES O14684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL8103222 0.87 KDM1A (0.41) MAPTKIF11
SCHEMBL4744284 0.71 KMT2A (0.47) ALDH1A1MAPTLMNATP53MAOB
SCHEMBL9201878 0.66 HDAC3 (0.41) ALDH1A1LMNAKIF11SMN1; SMN2
SCHEMBL16108162 0.65 SMN1; SMN2 (0.50) MAPTLMNATP53NPBWR1SMN1; SMN2
SCHEMBL29782607 0.63 L3MBTL1 (0.58) ALDH1A1MAPTLMNAMAOBGAA
SCHEMBL167016 0.63 L3MBTL1 (0.58) ALDH1A1MAPTLMNAMAOBGAA
SCHEMBL8105812 0.63 KDM1A (0.40) MAPTLMNA
SCHEMBL13247934 0.63 NR1H4 (0.63) ALDH1A1MAPTTP53KIF11MAOB
SCHEMBL11812241 0.62 SLC6A4 (0.47) KIF11
SCHEMBL27295380 0.61 MAPT (0.57) ALDH1A1MAPTLMNAGAATDP1

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
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed