SCHEMBL1813604

SCHEMBL1813604

FC(F)(F)c1cccc(C(F)(F)F)c1S.[Zn]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AXL P30530 1/20 0.38
KIF11 P52732 1/20 0.38
P2RX7 Q99572 1/20 0.36
CES1 P23141 1/20 0.36
IDO1 P14902 2/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
PNMT P11086 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL1815828 0.97 ALDH1A1 (0.39) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL1813351 0.94 ALDH1A1 (0.38) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL20078218 0.82 HSD11B1 (0.38) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL17035432 0.80 AR (0.39) ALDH1A1TDP1P2RX7CA2KDM4E
SCHEMBL10494591 0.80 POLB (0.38) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL28918921 0.80 P2RX7 (0.40) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL6502164 0.80 SMN1; SMN2 (0.39) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL6683390 0.75 AR (0.43) ALDH1A1CA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL11090581 0.75 PIM1 (0.42) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL72183 0.74 ALDH1A1 (0.44) ALDH1A1POLBTDP1L3MBTL1KIF11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105244-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2011-05-05 US claimed
US-8592526-B2 Golf ball SRI SPORTS LIMITED (JP) 2013-11-26 US disclosed
US-20110105244-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2011-05-05 US disclosed