SCHEMBL935243

SCHEMBL935243

CC(Cc1cccc(SC(F)(F)F)c1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.44
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CETP P11597 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PLA2G10 O15496 4/20 0.36
PLA2G2A P14555 4/20 0.36
PLA2G5 P39877 2/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
PLA2G12B Q9BX93 1/20 0.36
PLA2G12A Q9BZM1 1/20 0.36

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
SCHEMBL933962 0.82 PTPRZ1 (0.47) EPHX1LMNAHTT
SCHEMBL11547646 0.82 HTR2A (0.58) HTR2AHTR2CHTR2BCETP
Hydrochloric Acid SCHEMBL11546088 0.81 HTR2A (0.57) HTR2AHTR2CHTR2BCETP
SCHEMBL17449716 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BCETPFFAR4
SCHEMBL15881786 0.78 HTR2A (0.67) EPHX1HTR2AHTR2CHTR2BLMNA
SCHEMBL27274983 0.78 HTR2A (0.67) EPHX1HTR2AHTR2CHTR2BLMNA
SCHEMBL12986139 0.78 LMNA (0.42) EPHX1CETPFFAR4UBE2MDCUN1D1
SCHEMBL27466730 0.77 UBE2M (0.40) EPHX1CETPFFAR4UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL22188668 0.76 ALDH1A1 (0.46) HTR2AHTR2CHTR2BCETPFFAR4
SCHEMBL9989813 0.76 SLC1A1 (0.55) TSHR

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
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed