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SCHEMBL4861810

SCHEMBL4861810

CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccc(F)cc4)ns3)CC2C)cc1.Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)C(C)C3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ HSD11B1 P28845 15/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL2005614 0.88 HSD11B1 (0.46) HSD11B1
SCHEMBL2012050 0.88 MITF (0.43) POLBHSD11B1KDM4EALDH1A1MAPT
SCHEMBL12569133 0.88 HSD11B1 (0.51) HSD11B1
SCHEMBL2007602 0.88 LMNA (0.47) POLBALDH1A1MAPTTSHR
SCHEMBL4684219 0.84 MEN1 (0.49) POLBALDH1A1MAPTTDP1TSHR
SCHEMBL4685105 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1TSHR
SCHEMBL2007974 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1TSHR
SCHEMBL2008890 0.80 HSD11B1 (0.46) HSD11B1
SCHEMBL3064336 0.79 ALDH1A1 (0.45) POLBHSD11B1KDM4EALDH1A1MAPT
SCHEMBL2011821 0.79 L3MBTL1 (0.43) HSD11B1

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-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 — — EP claimed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 — — WO claimed