SCHEMBL4788966

SCHEMBL4788966

COc1cc2c(cc1I)CCCN2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 3/20 0.43
ATM Q13315 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL10912768 0.86 MAPT (0.45) HTR2AHTR2CHTR2BATMTLR9
Hydrochloric Acid SCHEMBL7373928 0.84 MAPT (0.44) HTR2AHTR2CHTR2BATMTLR9
SCHEMBL5468971 0.81 MAPT (0.43) HTR2AHTR2CHTR2BATMTLR9
SCHEMBL30340758 0.81 MAPT (0.43) HTR2AHTR2CHTR2BATMTLR9
SCHEMBL25405400 0.80 HTR2C (0.47) HTR2AHTR2CHTR2BATMTLR9
SCHEMBL18122551 0.80 HTR2C (0.56) HTR2AHTR2CHTR2BATMTLR9
SCHEMBL31083458 0.80 GAA (0.41) HTR2AHTR2CHTR2BATMTLR9
SCHEMBL30480865 0.80 HTR2C (0.56) HTR2AHTR2CHTR2BATMTLR9
SCHEMBL21468538 0.77 L3MBTL1 (0.39) ATMTLR9TLR8TLR7KDM4E
SCHEMBL31083497 0.77 MAPT (0.41) HTR2AHTR2CHTR2BATMTLR9

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
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed