SCHEMBL3986256

SCHEMBL3986256

O=C(O)COc1ncc(Cl)c2ccc(Cc3ccc(Cl)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.42
MAP3K8 P41279 1/20 0.40
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
PPARG P37231 1/20 0.39
MAP4K4 O95819 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
AKR1B1 P15121 1/20 0.37
HIF1A Q16665 1/20 0.36

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
SCHEMBL3984196 0.85 MAPT (0.41) TDP1KDM4EHTTMAPT
SCHEMBL3983777 0.80 TDP1 (0.55) TDP1TSHRMAPTPTGDR2
SCHEMBL3983780 0.77 THRB (0.46) TDP1TSHRMAP3K8THRATHRB
SCHEMBL3984932 0.72 TDP1 (0.46) TDP1TSHRPPARGKDM4EMAPT
SCHEMBL11377919 0.72 LMNA (0.56) PPARGMAP4K4
SCHEMBL11000247 0.69 TDP1 (0.53) TDP1TSHRMAP3K8MAPT
SCHEMBL1888799 0.67 KMT2A (0.46) TDP1TSHRMAP3K8PPARGKDM4E
SCHEMBL3979381 0.67 LMNA (0.48) TDP1TSHRKDM4EPKMHTT
SCHEMBL23003709 0.66 THRB (0.65) TDP1TSHRTHRATHRBPPARG
SCHEMBL3988279 0.66 TDP1 (0.47) TDP1TSHRPPARGKDM4EPKM

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
WO-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed
WO-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed