SCHEMBL6206047

SCHEMBL6206047

O=C(O)/C(I)=C(/Oc1ccccc1)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
HPGD P15428 2/20 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
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
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
SCHEMBL6206646 0.77 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6205992 0.77 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6204752 0.77 ELANE (0.52) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206634 0.77 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL9562937 0.77 ELANE (0.52) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206058 0.74 TSHR (0.47) ELANETDP1L3MBTL1HPGDALDH1A1
SCHEMBL4607748 0.74 CES1 (0.42) TDP1L3MBTL1HSD17B10F2LMNA
SCHEMBL6207375 0.74 TSHR (0.47) ELANETDP1L3MBTL1HPGDALDH1A1
SCHEMBL6206053 0.73 ELANE (0.43) ELANEPARP10NSD2TDP1L3MBTL1
SCHEMBL6206048 0.73 ELANE (0.43) 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