SCHEMBL2014834

SCHEMBL2014834

NC(=O)c1cc(I)c(I)c(C(N)=O)c1I

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.37
NQO2 P16083 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
IKBKB O14920 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP1 P09874 1/20 0.31
DGAT1 O75907 1/20 0.31
MAPK8 P45983 1/20 0.30
BPTF Q12830 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11295002 0.88 TPMT (0.43) TPMTNQO2IRAK4IKBKBTSHR
SCHEMBL9009216 0.88 TPMT (0.43) TPMTKDM4EALDH1A1MAPTHPGD
SCHEMBL1837458 0.83 TPMT (0.37) TPMTNQO2KDM4EALDH1A1MAPT
SCHEMBL23042699 0.83 NQO2 (0.34) TPMTNQO2IKBKBKDM4EALDH1A1
SCHEMBL9548344 0.80 ALDH1A1 (0.40) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9639020 0.77 LMNA (0.48) KDM4EALDH1A1HPGD
SCHEMBL27902963 0.76 NQO2 (0.40) TPMTNQO2IKBKBKDM4EALDH1A1
SCHEMBL12966232 0.76 HDAC3 (0.41) TPMTNQO2IRAK4KDM4EALDH1A1
SCHEMBL29595299 0.76 HDAC3 (0.41) TPMTNQO2IRAK4KDM4EALDH1A1
SCHEMBL6013300 0.75 HPGD (0.44) KDM4EALDH1A1MAPTHPGDPOLB

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022099258-A1 MATERIALS FOR OBTURATION SONENDO, INC. (US) 2022-05-12 WO claimed
EP-2917174-A1 PREPARATION OF INTERMEDIATES OF X-RAY CONTRAST AGENTS GE HEALTHCARE AS (NO) 2015-09-16 EP claimed
WO-2014074315-A1 PREPARATION OF INTERMEDIATES OF X-RAY CONTRAST AGENTS GE HEALTHCARE AS (NO) 2014-05-15 WO claimed
EP-2504298-A1 PREPARATION AND PURIFICATION OF IODIXANOL Hovione China Holding Limited (CN) 2012-10-03 EP claimed
WO-2011063551-A1 PREPARATION AND PURIFICATION OF IODIXANOL HOVIONE CHINA HOLDING LIMITED (CN) 2011-06-03 WO claimed
EP-2245003-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP claimed
EP-2245004-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP claimed
WO-2009106551-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO claimed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO claimed
EP-1150943-A1 PREPARATION OF IODIXANOL NYCOMED IMAGING AS (NO) 2001-11-07 EP claimed
EP-0646021-A1 PURIFICATION OF CRUDE IOVERSOL USING CONTINUOUS DEIONIZATION. MALLINCKRODT MEDICAL INC (US) 1995-04-05 EP claimed
EP-0628024-A4 SYNTHESIS OF IOVERSOL USING A MINIMAL EXCESS OF ACETOXYACETYLCHLORIDE. MALLINCKRODT MEDICAL INC (US) 1995-03-22 EP claimed
EP-0598751-A4 SYNTHESIS OF IOVERSOL USING CHLOROACETYL CHLORIDE. MALLINCKRODT MEDICAL INC (US) 1995-01-18 EP claimed
EP-0628024-A1 SYNTHESIS OF IOVERSOL USING A MINIMAL EXCESS OF ACETOXYACETYLCHLORIDE MALLINCKRODT MEDICAL, INC. (US) 1994-12-14 EP claimed
EP-0646021-A4 PURIFICATION OF CRUDE IOVERSOL USING CONTINUOUS DEIONIZATION. MALLINCKRODT MEDICAL INC (US) 1994-10-07 EP claimed
EP-0598751-A1 SYNTHESIS OF IOVERSOL USING CHLOROACETYL CHLORIDE MALLINCKRODT MEDICAL, INC. (US) 1994-06-01 EP claimed
WO-1993016981-A1 SYNTHESIS OF IOVERSOL USING A MINIMAL EXCESS OF ACETOXYACETYLCHLORIDE MALLINCKRODT MEDICAL, INC. (US) 1993-09-02 WO claimed
WO-1993005820-A1 PURIFICATION OF CRUDE IOVERSOL USING CONTINUOUS DEIONIZATION MALLINCKRODT MEDICAL, INC. (US) 1993-04-01 WO claimed
WO-1993001840-A1 SYNTHESIS OF IOVERSOL USING CHLOROACETYL CHLORIDE MALLINCKRODT MEDICAL, INC. (US) 1993-02-04 WO claimed
EP-0513063-A1 PROCESS FOR PRODUCTION OF IOVERSOL. MALLINCKRODT INC (US) 1992-11-19 EP claimed