SCHEMBL8173003

SCHEMBL8173003

O=C(O)c1ccc(C=C2SC(=S)NC2=S)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.78
MYC P01106 2/20 0.76
IL1RN P18510 1/20 0.76
ERAP1 Q9NZ08 1/20 0.76
PNP P00491 1/20 0.53
NAT1 P18440 5/20 0.51
CA2 P00918 1/20 0.50
EPHX1 P07099 1/20 0.50
INSR P06213 1/20 0.49
IGF1R P08069 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
PTP4A3 O75365 1/20 0.49
MAX P61244 1/20 0.48

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
SCHEMBL8172998 1.00 TDP1 (0.78) TDP1MYCIL1RNERAP1PNP
SCHEMBL14860903 0.88 TDP1 (1.00) TDP1MYCIL1RNERAP1PNP
SCHEMBL14860884 0.88 TDP1 (1.00) TDP1MYCIL1RNERAP1PNP
SCHEMBL14860882 0.88 TDP1 (1.00) TDP1MYCIL1RNERAP1PNP
SCHEMBL6962628 0.86 MYC (1.00) TDP1MYCIL1RNERAP1NAT1
SCHEMBL12961169 0.86 MYC (1.00) TDP1MYCIL1RNERAP1NAT1
SCHEMBL6962632 0.86 MYC (1.00) TDP1MYCIL1RNERAP1NAT1
SCHEMBL13388565 0.78 INSR (0.80) TDP1MYCIL1RNERAP1INSR
SCHEMBL8177384 0.77 GPR35 (0.66) TDP1MYCIL1RNERAP1PTPN12
SCHEMBL8177382 0.77 GPR35 (0.66) TDP1MYCIL1RNERAP1PTPN12

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-2000018748-A1 RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed