SCHEMBL807255

SCHEMBL807255

OCCN(CCO)Cc1cccc(I)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
THPO P40225 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
IDO1 P14902 2/20 0.43

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
SCHEMBL13667480 0.92 TSHR (0.62) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL14874503 0.86 MEN1 (0.57) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL31638054 0.82 SIGMAR1 (0.60) HSD17B10MEN1KMT2ATSHRSIGMAR1
SCHEMBL4763153 0.78 TSHR (0.54) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL14544445 0.78 HTT (0.57) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL18697659 0.78 TSHR (0.57) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL3100416 0.77 HRH3 (0.47) TSHRKDM4EMAPK1SIGMAR1CYP1A2
SCHEMBL1249704 0.76 MEN1 (0.56) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL79747 0.76 HTT (0.62) HSD17B10MEN1KMT2ATSHRHTT
SCHEMBL2186740 0.74 TDP1 (0.52) ALDH1A1LMNASMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184668-A1 METHODS FOR TREATING FLAVIVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-10-26 WO disclosed
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 EP disclosed
WO-2017049060-A1 METHODS FOR TREATING ARENAVIRIDAE AND CORONAVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 EP disclosed
EP-2268642-B1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2015-02-25 EP disclosed
EP-2595980-B1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2014-09-03 EP disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 WO disclosed
WO-2012037038-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-22 WO disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 WO disclosed
WO-2008005542-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC., (US) 2008-01-10 WO disclosed