SCHEMBL7592876

SCHEMBL7592876

Nc1c(I)c(N)c(I)c(CCC(=O)O)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
KEAP1 Q14145 1/20 0.35
GPR17 Q13304 5/20 0.35
LMNA P02545 2/20 0.33
FFAR1 O14842 2/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
PDE4A P27815 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33

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
SCHEMBL9696076 0.79 LMNA (0.53) HSD17B10KEAP1GPR17LMNAFFAR1
SCHEMBL7592100 0.72
SCHEMBL8095483 0.69 CYP1A2 (0.50) HSD17B10GPR17LMNACHRM1TBXA2R
SCHEMBL7595517 0.68 ALDH1A1 (0.39) HSD17B10LMNACHRM1TBXA2RPDE4A
SCHEMBL4157307 0.65 KEAP1 (0.39) HSD17B10KEAP1LMNAFFAR1CYP1A2
SCHEMBL9637092 0.65 GPR17 (0.57) KEAP1GPR17FFAR1HIF1ANPSR1
SCHEMBL621486 0.64 TPMT (0.33) LMNACYP1A2KDM4E
SCHEMBL9563941 0.64 POLB (0.35) HSD17B10LMNACYP1A2CYP2C9KDM4E
SCHEMBL28830916 0.64 NPSR1 (0.50) HSD17B10KEAP1GPR17LMNAFFAR1
Hydrochloric Acid SCHEMBL9169414 0.62 KEAP1 (0.37) KEAP1LMNAFFAR1CYP1A2ALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
US-5993780-A A POLYIODOARYLALKYL ALCOHOL OR DERIVATIVE NYCOMED IMAGING AS (NO) 1999-11-30 US disclosed
US-5882628-A Contrast media NYCOMED IMAGING AS (NO) 1999-03-16 US disclosed
EP-0782564-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009282-A1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING A/S (NO) 1996-03-28 WO disclosed