SCHEMBL6206216

SCHEMBL6206216

O=C(O)C(=COc1ccccc1I)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.44
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.37
FABP7 O15540 1/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37
POLB P06746 4/20 0.37
AKR1C2 P52895 2/20 0.36
AKR1C3 P42330 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.34
F2 P00734 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL6206649 0.80 AKR1C1 (0.44) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6207378 0.80 POLB (0.49) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6208071 0.80 AKR1C1 (0.44) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6206194 0.78 L3MBTL1 (0.43) AKR1C1KMT2AMEN1ALDH1A1AKR1C2
SCHEMBL19640358 0.77 AKR1C1 (0.52) AKR1C1KMT2AMEN1ALDH1A1AKR1C2
SCHEMBL6187374 0.76 AKR1C1 (0.47) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6207451 0.76 AKR1C1 (0.41) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6205776 0.76 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL6205911 0.76 AKR1C1 (0.41) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL15579004 0.71 AKR1C1 (0.53) AKR1C1KMT2AMEN1ALDH1A1POLB

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