SCHEMBL9192161

SCHEMBL9192161

COCC(=O)Nc1c(I)c(C(=O)NCC(O)CC(O)CO)c(I)c(C(=O)NCC(O)CC(O)CO)c1I

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.75
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HPGD P15428 3/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP2K1 Q02750 5/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ROCK2 O75116 1/20 0.32
MAP2K2 P36507 1/20 0.30
PRKCZ Q05513 1/20 0.30
IARS2 Q9NSE4 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL12885813 0.96 LMNA (0.80) LMNACYP2C19HIF1AHPGDEGFR
SCHEMBL8857302 0.92 LMNA (0.74) LMNACYP2C19HIF1AHPGDEGFR
SCHEMBL29557408 0.92 LMNA (0.74) LMNACYP2C19HIF1AHPGDEGFR
SCHEMBL28634498 0.92 LMNA (0.74) LMNACYP2C19HIF1AHPGDEGFR
SCHEMBL12217873 0.91 LMNA (0.72) LMNACYP2C19HIF1AHPGDEGFR
SCHEMBL30480271 0.91 LMNA (0.72) LMNACYP2C19HIF1AHPGDEGFR
Potassium Ion SCHEMBL31229203 0.90 LMNA (0.71) LMNACYP2C19HIF1AHPGDEGFR
SCHEMBL9389982 0.89 LMNA (0.61) LMNACYP2C19HIF1AHPGDEGFR
SCHEMBL9188727 0.86 LMNA (0.56) LMNACYP2C19HIF1AHPGDEGFR
Iopromide SCHEMBL24546 0.86 LMNA (1.00) LMNACYP2C19HIF1AHPGDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619744-A4 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS. MALLINCKRODT MEDICAL INC (US) 1995-02-08 EP disclosed
EP-0619744-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1994-10-19 EP disclosed
WO-1994005337-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1994-03-17 WO disclosed
WO-1993010825-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT MEDICAL, INC. (US) 1993-06-10 WO disclosed
US-5191120-A Process for preparing nonionic X-ray contrast agents MALLINCKRODT MEDICAL, INC. (US) 1993-03-02 US disclosed
EP-0504266-A1 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1992-09-23 EP disclosed
US-5075502-A NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1991-12-24 US disclosed
WO-1991009007-A2 NONIONIC X-RAY CONTRAST AGENTS, COMPOSITIONS AND METHODS MALLINCKRODT, INC. (US) 1991-06-27 WO disclosed