SCHEMBL7595426

SCHEMBL7595426

CC(=O)OCC(=O)Nc1c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)CBr)c1I

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 8/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL7591398 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PKMLMNAHPGD
SCHEMBL8417999 0.84 LMNA (0.31) ALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL8342120 0.83 LMNA (0.47) ALDH1A1SMN1; SMN2PKMLMNAHPGD
SCHEMBL22645203 0.80 LMNA (0.47) ALDH1A1SMN1; SMN2PKMLMNAHPGD
Hydrochloric Acid SCHEMBL11285322 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2PKMLMNAHPGD
SCHEMBL708587 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PKMLMNAHPGD
SCHEMBL8906827 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2PKMLMNAHPGD
SCHEMBL9548340 0.73 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2PKMLMNAHPGD
SCHEMBL22661232 0.72 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2PKMLMNAHPGD
SCHEMBL7594233 0.72 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2PKMLMNAHPGD

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