SCHEMBL92031

SCHEMBL92031

FC(F)(F)c1cccc([I+]c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MAPK1 P28482 1/20 0.52
MGLL Q99685 1/20 0.52
HTR2C P28335 4/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
CES2 O00748 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM1A O60341 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
IDO1 P14902 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL10851576 0.98 TSHR (0.50) TSHRMAPK1MGLLHTR2CHTR3E
SCHEMBL29466738 0.94 ALDH1A1 (0.52) TSHRMAPK1MGLLHTR2CHTR3E
SCHEMBL11791204 0.94 ALDH1A1 (0.52) TSHRMAPK1MGLLHTR2CHTR3E
Hydrochloric Acid SCHEMBL31385344 0.92 ALDH1A1 (0.50) TSHRMAPK1MGLLHTR2CHTR3E
Trifluoromethanesulfonic Acid SCHEMBL31399265 0.85 CA1 (0.42) TSHRMAPK1MGLLHTR2CHTR3E
SCHEMBL12703041 0.82 MAPT (0.47) MGLLALDH1A1GAAMAPTRAB9A
Trifluoromethanesulfonic Acid SCHEMBL29462453 0.81 PTPN1 (0.45) TSHRMAPK1MGLLHTR2CCES2
Fluoride Ion SCHEMBL245169 0.81 MAPT (0.46) MGLLALDH1A1GAAMAPTRAB9A
SCHEMBL30951260 0.80 RAPGEF4 (0.50) TSHRMAPK1MGLLHTR2CCES2
SCHEMBL62723 0.79 TSHR (0.67) TSHRMAPK1MGLLHTR2CHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8127675-B2 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-20100005989-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION 2010-01-14 US disclosed