SCHEMBL6206403

SCHEMBL6206403

O=C(OCl)C(=C(Cl)Oc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.43
CYP1A2 P05177 1/20 0.39
PARP10 Q53GL7 1/20 0.38
NSD2 O96028 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1C3 P42330 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6205997 0.84 ELANE (0.43) ELANECYP1A2PARP10NSD2TDP1
SCHEMBL7758087 0.75 ELANE (0.46) ELANECYP1A2NSD2TDP1MAPT
SCHEMBL3852977 0.72 ELANE (0.51) ELANEPARP10NSD2TDP1MAPT
SCHEMBL28856143 0.71 ELANE (0.51) ELANECYP1A2PARP10NSD2TDP1
SCHEMBL17102368 0.71 ELANE (0.46) ELANEPARP10NSD2TDP1MAPT
SCHEMBL6204762 0.71 ELANE (0.53) ELANECYP1A2PARP10NSD2TDP1
SCHEMBL4333100 0.71 ELANE (0.48) ELANECYP1A2TDP1MAPTL3MBTL1
SCHEMBL461096 0.69 ELANE (0.53) ELANECYP1A2PARP10NSD2TDP1
SCHEMBL6205992 0.69 ELANE (0.43) ELANECYP1A2PARP10NSD2TDP1
Phosphine SCHEMBL28214722 0.69 ELANE (0.45) ELANECYP1A2PARP10NSD2TDP1

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