SCHEMBL8189592

SCHEMBL8189592

COc1cccc(C=C2SC(=O)NC2=S)c1O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 13/20 0.70
▸ TDP2 O95551 1/20 0.60
▸ IGF1R P08069 1/20 0.58
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ GAA P10253 1/20 0.54
▸ ALOX5 P09917 1/20 0.53
▸ PNP P00491 1/20 0.51
▸ NAT1 P18440 1/20 0.51
▸ PDE4B Q07343 1/20 0.51
▸ GSK3A P49840 1/20 0.51

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
SCHEMBL8189590 1.00 TDP1 (0.70) TDP1TDP2IGF1RMEN1KMT2A
SCHEMBL14860944 0.82 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL14860946 0.82 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL14860947 0.82 TDP1 (1.00) TDP1TDP2PNPNAT1
SCHEMBL15347653 0.82 NAT1 (0.76) IGF1RMEN1KMT2AALDH1A1MAPT
SCHEMBL8193225 0.82 NAT1 (0.76) IGF1RMEN1KMT2AALDH1A1MAPT
SCHEMBL8193222 0.82 NAT1 (0.76) IGF1RMEN1KMT2AALDH1A1MAPT
SCHEMBL8182123 0.77 TDP1 (1.00) TDP1IGF1RMEN1KMT2AALDH1A1
SCHEMBL8182124 0.77 TDP1 (1.00) TDP1IGF1RMEN1KMT2AALDH1A1
SCHEMBL14860898 0.77 TDP1 (1.00) TDP1IGF1RMEN1KMT2AALDH1A1

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
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