SCHEMBL6012587

SCHEMBL6012587

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
TPMT P51580 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
NQO2 P16083 1/20 0.31
PARP1 P09874 1/20 0.31

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 0.86 TPMT (0.37) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL124763 0.83 TSHR (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL29394151 0.83 TSHR (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL6396616 0.81 TSHR (0.45) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL10826112 0.81 LMNA (0.39) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL6396610 0.79 LMNA (0.38) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL3663229 0.78 TSHR (0.46) LMNACYP2C9CHRM1TBXA2RPDE4A
SCHEMBL31518592 0.78 TSHR (0.39) LMNATPMTTSHRMAPK1PARP1
SCHEMBL10495744 0.78 TSHR (0.39) LMNATPMTTSHRMAPK1PARP1
SCHEMBL9451092 0.77 POLB (0.32) TPMTTSHRMAPK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983227-B8 PREPARATION OF TRI-IODO BENZENE COMPOUNDS GE HEALTHCARE AS (NO) 2006-10-25 EP disclosed
EP-0983227-B1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS AMERSHAM HEALTH AS (NO) 2006-08-30 EP disclosed
US-RE38856-E1 Preparation of tri-iodo benzene compounds AMERSHAM HEALTH AS (NO) 2005-10-25 US disclosed
US-6137006-A IODINATING 2,4,6-UNSUBSTITUTED BENZENE RING CONTAINING COMPOUND WITH IODINE HALIDE IODINATING AGENT IN AQUEOUS REACTION MEDIUM, ADDING BASE, REDUCING AGENT AND AGITATING; ADDING SEED CRYSTALS; COOLING, PRECIPITATING REACTION PRODUCT NYCOMED IMAGING AS (NO) 2000-10-24 US disclosed
EP-0983227-A1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 2000-03-08 EP disclosed
WO-1998052909-A1 PREPARATION OF TRI-IODO BENZENE COMPOUNDS NYCOMED IMAGING AS (NO) 1998-11-26 WO disclosed
US-4025550-A Derivatives of triiodo-aminobenzenecarboxylic acids and the preparation thereof CHEMIE LINZ AKTIENGESELLSCHAFT (OE) 1977-05-24 US disclosed