SCHEMBL5805271

SCHEMBL5805271

COc1ccc(CCNC(=O)C[S])cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
PTPN1 P18031 1/20 0.63
POLB P06746 1/20 0.63
KMT2A Q03164 3/20 0.61
GLA P06280 1/20 0.61
MEN1 O00255 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.59
CA12 O43570 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59

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
SCHEMBL12773610 0.88 SMN1; SMN2 (0.75) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL23417615 0.87 POLB (0.77) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL5302419 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL9853024 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL11441525 0.85 SMN1; SMN2 (0.71) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL6530877 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL6531735 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL8015010 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL5805275 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1POLBKMT2AGLA
SCHEMBL3654748 0.84 SMN1; SMN2 (0.69) SMN1; SMN2PTPN1POLBKMT2AGLA

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