SCHEMBL6207451

SCHEMBL6207451

O=C(O)C(=COc1cccc(Br)c1Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.41
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
AKR1C2 P52895 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
AKR1C3 P42330 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
SCHEMBL6206216 0.76 AKR1C1 (0.44) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6206649 0.76 AKR1C1 (0.44) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6207378 0.76 POLB (0.49) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6208071 0.76 AKR1C1 (0.44) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6205911 0.76 AKR1C1 (0.41) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6206194 0.74 L3MBTL1 (0.43) AKR1C1KMT2AMEN1ALDH1A1NPC1
SCHEMBL19640358 0.73 AKR1C1 (0.52) AKR1C1KMT2AMEN1ALDH1A1LMNA
SCHEMBL6187374 0.73 AKR1C1 (0.47) AKR1C1KMT2AMEN1ALDH1A1POLB
SCHEMBL6205776 0.73 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL23124841 0.72 KMT2A (0.58) KMT2AMEN1POLBMAPTSMN1; SMN2

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