SCHEMBL17226299

SCHEMBL17226299

Cc1cc(Cl)ccc1C(C)I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.40
HTR2A P28223 3/20 0.40
TSHR P16473 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
NOX1 Q9Y5S8 1/20 0.35
CYP2A6 P11509 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MGLL Q99685 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL15079741 0.83 LMNA (0.67) HTTLMNATP53CYP3A4HTR2A
SCHEMBL8207699 0.83 LMNA (0.67) HTTLMNATP53CYP3A4HTR2A
SCHEMBL23123473 0.83 LMNA (0.67) HTTLMNATP53CYP3A4HTR2A
SCHEMBL29757882 0.83 LMNA (0.67) HTTLMNATP53CYP3A4HTR2A
SCHEMBL1911434 0.82 LMNA (0.48) HTTLMNATP53CYP3A4HTR2A
Hydrochloric Acid SCHEMBL14120711 0.81 LMNA (0.64) HTTLMNATP53CYP3A4HTR2A
SCHEMBL7435118 0.80 TP53 (0.63) HTTLMNATP53CYP3A4TSHR
Hydrogen Peroxide SCHEMBL29099641 0.78 HTR2B (0.51) HTTLMNATP53CYP3A4HTR2A
SCHEMBL21095998 0.78 HTT (0.45) HTTLMNATP53CYP3A4HTR2A
SCHEMBL17226365 0.78 LMNA (0.37) HTTLMNATP53CYP3A4HTR2A

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-2403860-B1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed