SCHEMBL7045870

SCHEMBL7045870

C=CCNC(=O)c1c(I)c(C(=O)NCC=C)c(I)c([N+](=O)[O-])c1I

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 6/20 0.41
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATG4B Q9Y4P1 1/20 0.37
CYP1A2 P05177 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1360134 0.77 HPGD (0.47) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9564059 0.74 HPGD (0.45) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6013194 0.73 HPGD (0.44) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12377671 0.73 LMNA (0.53) HPGDALDH1A1LMNAPOLBCYP2C19
SCHEMBL9563923 0.72 ALDH1A1 (0.43) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9259815 0.72 HPGD (0.43) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL3060111 0.71 HPGD (0.42) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL709348 0.71 HPGD (0.45) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL10874560 0.70 LMNA (0.41) HPGDALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL9563934 0.70 HPGD (0.41) HPGDALDH1A1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968173-B1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR AMERSHAM HEALTH AS (NO) 2003-04-16 EP claimed
EP-0968173-B1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR AMERSHAM HEALTH AS (NO) 2003-04-16 EP disclosed
US-6153771-A 5-SUBSTITUTED ISOPHTHALIC ACID BIS(ALLYLAMIDE) OR CORRESPONDING EPOXIDE OF THE ALLYL GROUPS; INTERMEDIATE FOR IOHEXOL NYCOMED IMAGING AS (NO) 2000-11-28 US disclosed
US-5824821-A EPOXIDATION OF ALLYLAMINO COMPOUND, HYDROLYSIS TO YIELD 2,3-DIHYDROXYPROPYLAMINO COMPOUNDS NYCOMED IMAGING AS (NO) 1998-10-20 US disclosed