SCHEMBL5805038

SCHEMBL5805038

C=CCn1c(SC[C]=O)nc2sc3c(c2c1=O)CCC3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ NPSR1 Q6W5P4 4/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ MAPT P10636 2/20 0.62
▸ TSHR P16473 4/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ ATM Q13315 1/20 0.58
▸ PKM P14618 1/20 0.56
▸ GRK2 P25098 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ BACE1 P56817 1/20 0.54

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
SCHEMBL5804877 0.98 NPSR1 (0.65) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL3911841 0.88 TP53 (0.68) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL1102247 0.84 POLB (0.66) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL1101912 0.82 ALDH1A1 (0.66) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL19079782 0.82 TSHR (0.73) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL3914163 0.79 ALDH1A1 (0.77) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL5805451 0.78 ALDH1A1 (0.77) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL19079821 0.77 TSHR (0.67) POLBTDP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL19079669 0.77 SMN1; SMN2 (0.76) NPSR1ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL19090776 0.76 RXFP1 (0.65) NPSR1ALDH1A1SMN1; SMN2MAPTTSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
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