SCHEMBL6206051

SCHEMBL6206051

C=C(C(=O)OOc1ccccc1I)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 2/20 0.48
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
FABP7 O15540 1/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
ELANE P08246 1/20 0.33
TSHR P16473 4/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL6205994 0.81 TDP1 (0.48) TDP1ATMLMNAF2MAPT
SCHEMBL6206638 0.81 ATM (0.48) TDP1ATMLMNAF2MAPT
SCHEMBL6204759 0.81 TDP1 (0.51) TDP1ATMLMNAF2MAPT
SCHEMBL6206062 0.81 ATM (0.51) TDP1ATMLMNAMAPTSMN1; SMN2
SCHEMBL6208230 0.81 ATM (0.48) TDP1ATMLMNAF2MAPT
SCHEMBL9124237 0.78 TDP1 (0.53) TDP1ATMLMNAF2MAPT
SCHEMBL6204389 0.78 ATM (0.46) TDP1ATMLMNAF2MAPT
SCHEMBL6204946 0.78 ATM (0.49) TDP1ATMLMNAF2MAPT
SCHEMBL6251469 0.77 TDP1 (0.48) TDP1ATMLMNAF2MAPT
SCHEMBL6206401 0.77 ATM (0.44) TDP1ATMLMNAF2MAPT

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