SCHEMBL5404369

SCHEMBL5404369

FC(F)(F)c1cccc(C(F)(F)F)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.50
KIF11 P52732 2/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
IDH2 P48735 1/20 0.46
CES2 O00748 1/20 0.45
MGLL Q99685 1/20 0.45
IDO1 P14902 2/20 0.44
TDO2 P48775 1/20 0.44
LMNA P02545 1/20 0.43
ACP3 P15309 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PGK1 P00558 1/20 0.42

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
SCHEMBL4592667 0.93 TSHR (0.54) TSHRALDH1A1MAPK1KIF11MEN1
SCHEMBL6384184 0.93 TSHR (0.54) TSHRALDH1A1MAPK1KIF11MEN1
SCHEMBL4661338 0.86 TSHR (0.54) TSHRALDH1A1MAPK1MAPTCES2
Benzene SCHEMBL8568955 0.85 TSHR (0.67) TSHRALDH1A1MAPK1KIF11MEN1
SCHEMBL6513245 0.84 TSHR (0.41) TSHRALDH1A1MAPK1KIF11MEN1
SCHEMBL244792 0.84 ALDH1A1 (0.59) TSHRALDH1A1KIF11MEN1MAPT
SCHEMBL3203731 0.84 ALDH1A1 (0.59) TSHRALDH1A1KIF11MEN1MAPT
SCHEMBL62723 0.83 TSHR (0.67) TSHRALDH1A1MAPK1KIF11MAPT
SCHEMBL3244276 0.82 TSHR (0.41) TSHRALDH1A1MAPK1KIF11MEN1
Hydrochloric Acid SCHEMBL31079531 0.82 ALDH1A1 (0.56) TSHRALDH1A1KIF11MEN1MAPT

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-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed