SCHEMBL9614726

SCHEMBL9614726

C=CCNC(=O)c1c(I)c(N)c(I)c(C(=O)N(O)O)c1I

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
TP53 P04637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 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
SCHEMBL1360134 0.89 HPGD (0.47) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL6013194 0.85 HPGD (0.44) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL9259815 0.84 HPGD (0.43) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL709348 0.82 HPGD (0.45) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL9564059 0.71 HPGD (0.45) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL1361288 0.70 ALDH1A1 (0.37) HPGDALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL10874560 0.70 LMNA (0.41) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL9563934 0.70 HPGD (0.41) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL7045870 0.69 HPGD (0.43) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL9563923 0.69 ALDH1A1 (0.43) HPGDALDH1A1SMN1; SMN2RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484328-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODO-5-AMINO-N-ALKYLISOPHTHALAMIC ACID AND 2,4,6-TRIIODO-5-AMINO-ISOPHTHALAMIDE COMPOUNDS. MALLINCKRODT INC (US) 1992-05-13 EP disclosed