SCHEMBL6251469

SCHEMBL6251469

C=C(C(=O)OOc1ccccc1SC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ABCB1 P08183 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33

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
SCHEMBL6204759 0.80 TDP1 (0.51) TDP1ATMPOLBTSHRSMN1; SMN2
SCHEMBL6206062 0.80 ATM (0.51) TDP1ATMPOLBSMN1; SMN2KMT2A
SCHEMBL6204946 0.78 ATM (0.49) TDP1ATMTSHRSMN1; SMN2HSD17B10
SCHEMBL6208230 0.77 ATM (0.48) TDP1ATMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6205994 0.77 TDP1 (0.48) TDP1ATMPOLBSMN1; SMN2ALDH1A1
SCHEMBL6206638 0.77 ATM (0.48) TDP1ATMPOLBSMN1; SMN2ALDH1A1
SCHEMBL6206051 0.77 TDP1 (0.48) TDP1ATMPOLBTSHRSMN1; SMN2
SCHEMBL9124237 0.75 TDP1 (0.53) TDP1ATMPOLBTSHRSMN1; SMN2
SCHEMBL6204389 0.75 ATM (0.46) TDP1ATMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6206401 0.73 ATM (0.44) TDP1ATMTSHRSMN1; SMN2ALDH1A1

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