SCHEMBL6206638

SCHEMBL6206638

C=C(C(=O)OOc1ccccc1Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM4 Q14833 2/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL6208230 0.81 ATM (0.48) ATMTDP1LMNAF2KMT2A
SCHEMBL6204759 0.81 TDP1 (0.51) ATMTDP1LMNAF2KMT2A
SCHEMBL6205994 0.81 TDP1 (0.48) ATMTDP1LMNAF2KMT2A
SCHEMBL6206051 0.81 TDP1 (0.48) ATMTDP1LMNAF2KMT2A
SCHEMBL6206062 0.81 ATM (0.51) ATMTDP1LMNAKMT2AMAPT
SCHEMBL9124237 0.78 TDP1 (0.53) ATMTDP1LMNAF2KMT2A
SCHEMBL6204389 0.78 ATM (0.46) ATMTDP1LMNAF2KMT2A
SCHEMBL6204946 0.78 ATM (0.49) ATMTDP1LMNAF2KMT2A
SCHEMBL447321 0.77 GRM4 (0.38) LMNAKMT2AALDH1A1MAPTNPC1
SCHEMBL6251469 0.77 TDP1 (0.48) ATMTDP1LMNAF2KMT2A

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