SCHEMBL19984703

SCHEMBL19984703

O=C(CC(O)I)c1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PARP1 P09874 1/20 0.50
KMO O15229 1/20 0.45
IDO1 P14902 2/20 0.45
HPGD P15428 1/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
ITGA5 P08648 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRNA3 P32297 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
CHRNA7 P36544 1/20 0.42

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
SCHEMBL3675550 0.83 KMO (0.66) ERCC5FEN1MEN1KMT2APARP1
SCHEMBL7406071 0.83 KMO (0.66) ERCC5FEN1MEN1KMT2APARP1
SCHEMBL19984713 0.83 ERCC5 (0.54) ERCC5FEN1MEN1KMT2APARP1
SCHEMBL728409 0.83 KMO (0.66) ERCC5FEN1MEN1KMT2APARP1
SCHEMBL13647196 0.81 ERCC5 (0.56) ERCC5FEN1MEN1KMT2APARP1
SCHEMBL1266993 0.80 ERCC5 (0.62) ERCC5FEN1MEN1KMT2APARP1
SCHEMBL19984837 0.79 MEN1 (0.51) MEN1KMT2APARP1HPGDKCNH2
SCHEMBL13977660 0.78 ERCC5 (0.61) ERCC5FEN1MEN1KMT2APARP1
SCHEMBL19984701 0.78 GSK3B (0.55) ERCC5FEN1KMT2ACYP2C19
SCHEMBL11791699 0.77 ERCC5 (0.76) ERCC5FEN1MEN1KMT2APARP1

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed