SCHEMBL9534416

SCHEMBL9534416

CC[Sn](CC)(CC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2C P28335 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.41
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CES2 O00748 1/20 0.40
MGLL Q99685 1/20 0.40
NOS3 P29474 2/20 0.40

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
SCHEMBL1452610 0.82 HDAC3 (0.43) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL978014 0.78 TSHR (0.48) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL46757 0.71 HTR2A (0.63) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL62723 0.71 TSHR (0.67) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL9619728 0.70 TSHR (0.41) TSHRMAPK1HTR2AHTR2BHTR2C
Ammonia Solution, Strong SCHEMBL266843 0.69 HTR2A (0.61) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL13063690 0.69 TSHR (0.48) TSHRMAPK1HTR2AHTR2BHTR2C
Methylamine SCHEMBL27581718 0.69 TSHR (0.65) TSHRMAPK1HTR2AHTR2BHTR2C
Methyl Alcohol SCHEMBL9419583 0.69 TSHR (0.58) TSHRMAPK1HTR2AHTR2BHTR2C
Fluoride SCHEMBL30661872 0.69 TSHR (0.64) TSHRMAPK1HTR2AHTR2BHTR2C

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
EP-0559843-A1 SUBSTITUTED N-HETEROBICYCLIC HERBICIDES. DU PONT (US) 1993-09-15 EP disclosed