SCHEMBL6206048

SCHEMBL6206048

O=C(O)C(Oc1ccccc1)=C(I)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.43
PARP10 Q53GL7 1/20 0.41
NSD2 O96028 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1C3 P42330 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6205993 0.81 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6204756 0.77 ELANE (0.52) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206637 0.77 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206647 0.77 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206060 0.74 TSHR (0.47) ELANETDP1L3MBTL1KMT2ANPC1
SCHEMBL6204942 0.74 ESR1 (0.51) ELANEKMT2ASMN1; SMN2
SCHEMBL11071474 0.74 ELANE (0.47) ELANENSD2TDP1L3MBTL1ATM
SCHEMBL6206047 0.73 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206053 0.73 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206776 0.73 NPC1 (0.41) ELANEPARP10NSD2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed