SCHEMBL3663229

SCHEMBL3663229

NC(=O)c1c(I)cc(I)c(C(=O)O)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
TPMT P51580 1/20 0.41
PARP1 P09874 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CDC25B P30305 1/20 0.31
CASP6 P55212 1/20 0.31
RCE1 Q9Y256 1/20 0.31
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PDE4A P27815 1/20 0.30
ADRA1A P35348 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3932936 0.91 TPMT (0.37) TSHRMAPK1TPMTPARP1CHRM1
SCHEMBL377395 0.89 MAPK1 (0.53) TSHRMAPK1TPMTALDH1A1CHRM1
Hydrochloric Acid SCHEMBL11407766 0.86 MAPK1 (0.52) TSHRMAPK1TPMTALDH1A1CHRM1
SCHEMBL29423654 0.81 POLB (0.32) TSHRMAPK1TPMTPARP1ALDH1A1
SCHEMBL9451092 0.81 POLB (0.32) TSHRMAPK1TPMTPARP1ALDH1A1
SCHEMBL4277000 0.79 TPMT (0.52) TSHRMAPK1TPMTALDH1A1CYP1A2
SCHEMBL31409214 0.79 TPMT (0.52) TSHRMAPK1TPMTALDH1A1CYP1A2
SCHEMBL9787543 0.79 LMNA (0.35) TSHRMAPK1TPMTPARP1ALDH1A1
SCHEMBL9787544 0.79 LMNA (0.35) TSHRMAPK1TPMTPARP1ALDH1A1
SCHEMBL28691627 0.78 TSHR (0.50) TSHRMAPK1TPMTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105194693-B For CT imagings and the golden shell parcel iodo nano-particle of photo-thermal therapy and its preparation 天津医科大学 2018-03-27 CN claimed
JP-6009526-A None JP disclosed
CN-105194693-B For CT imagings and the golden shell parcel iodo nano-particle of photo-thermal therapy and its preparation 天津医科大学 2018-03-27 CN disclosed
EP-2240432-A1 PROCESS FOR THE PREPARATION OF IOSIMENOL Mallinckrodt Inc. (US) 2010-10-20 EP disclosed
WO-2009091758-A1 PROCESS FOR THE PREPARATION OF IOSIMENOL MALLINCKRODT INC. (US) 2009-07-23 WO disclosed
JP-H069526-A PRODUCTION OF 2,4,6-TRIIODOISOPHTHALIC ACID AMIDES SUMIKA FINE KEMU KK 1994-01-18 JP disclosed
US-4869913-A DIETETICS SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4522839-A 3-Substituted 2,4,6-trihalogenated benzamides as sweetening agents SCHERING AKTIENGESELLSCHAFT (DE) 1985-06-11 US disclosed
US-4429152-A DIABETES, DIETETICS SCHERING, AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
US-4352788-A ARTERIES BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1982-10-05 US disclosed
US-4348377-A RADIOPACITY BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1982-09-07 US disclosed
EP-0011849-A1 2,4,6-Triiodo-isophthalamic acid derivatives, their preparation and X-ray contrast agents based on these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1980-06-11 EP disclosed
US-4160015-A 2,4,6-Triiodobenzoic acid derivatives and their use as x-ray contrast agents MALLINCKRODT, INC. (US) 1979-07-03 US disclosed
US-4138589-A CHEMICAL INTERMEDIATES FOR COMPOUNDS USED AS X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1979-02-06 US disclosed
US-4125599-A 2,4,6-TRIIODO-AMIDO-BENZOIC ACIDS MALLINCKRODT, INC. (US) 1978-11-14 US disclosed
US-4069250-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-01-17 US disclosed
US-4069250-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-01-17 US disclosed
US-4069250-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1978-01-17 US disclosed
US-4066743-A TRIIODOBENZOIC ACID DERIVATIVES MALLINCKRODT, INC. (US) 1978-01-03 US disclosed
US-3953497-A X-RAY CONTRAST AGENTS MALLINCKRODT, INC. (US) 1976-04-27 US disclosed