SCHEMBL6513245

SCHEMBL6513245

FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cccc([S+](c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KIF11 P52732 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH2 P48735 1/20 0.36
SCN2A Q99250 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CES2 O00748 1/20 0.35
MGLL Q99685 1/20 0.35
P2RX1 P51575 1/20 0.35
LMNA P02545 1/20 0.35
ACP3 P15309 1/20 0.35

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
SCHEMBL3244276 0.93 TSHR (0.41) TSHRALDH1A1KIF11MAPK1MEN1
SCHEMBL3144568 0.89 KIF11 (0.46) TSHRALDH1A1KIF11MEN1MAPT
SCHEMBL3139294 0.89 KIF11 (0.46) TSHRALDH1A1KIF11MEN1MAPT
SCHEMBL3132765 0.88 PTPN5 (0.35) TSHRALDH1A1KIF11MAPK1MEN1
SCHEMBL6384184 0.86 TSHR (0.54) TSHRALDH1A1KIF11MAPK1MEN1
SCHEMBL4592667 0.86 TSHR (0.54) TSHRALDH1A1KIF11MAPK1MEN1
SCHEMBL3130049 0.86 TDP1 (0.36) TSHRALDH1A1KIF11IDO1TDO2
SCHEMBL3137155 0.86 TDP1 (0.36) TSHRALDH1A1KIF11IDO1TDO2
SCHEMBL3136015 0.84 NPSR1 (0.41) MEN1MAPTRAB9AKMT2A
SCHEMBL3134861 0.84 CYP19A1 (0.35) TSHRALDH1A1KIF11MAPTHTT

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-20050059543-A1 Fluoroarylsulfonium photoacid generators APRILIS (US) 2005-03-17 US disclosed