SCHEMBL9177163

SCHEMBL9177163

CC(=O)N[C@@H](CSn1cnc2cncnc21)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PRNP P04156 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ DNMT3B Q9UBC3 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CYP1A2 P05177 2/20 0.30

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
SCHEMBL9081767 0.75 HDAC1 (0.40) FDPSHDAC1HDAC6RXFP1DNMT3B
SCHEMBL11543167 0.73 FDPS (0.42) FDPSHDAC1HDAC6DNMT3BSMN1; SMN2
SCHEMBL7592031 0.71 FDPS (0.40) FDPSHDAC1HDAC6DNMT3BALOX15
SCHEMBL21977344 0.70 CYP1A2 (0.51) RXFP1ALOX15SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21977345 0.70 CYP1A2 (0.51) RXFP1ALOX15SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28172599 0.67 FDPS (0.41) FDPSHDAC1HDAC6DNMT3BALDH1A1
SCHEMBL27535766 0.66 FDPS (0.40) FDPSHDAC1HDAC6DNMT3BALDH1A1
SCHEMBL1371020 0.66 FDPS (0.40) FDPSHDAC1HDAC6ALOX15SMN1; SMN2
SCHEMBL1831228 0.65 USP5 (0.48) FDPSHDAC1HDAC6DNMT3BKDM4E
SCHEMBL2563784 0.65 FDPS (0.38) FDPSHDAC1HDAC6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426467-B1 Prodrugs of 6-mercaptopurine and 6-thioguanine WISCONSIN ALUMNI RES FOUND (US) 1995-04-05 — — EP disclosed
US-5120740-A PRODRUGS OF 6-MERCAPTOPURINE AND 6-THIOGUANINE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1992-06-09 — — US disclosed
EP-0426467-A1 Prodrugs of 6-mercaptopurine and 6-thioguanine WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-05-08 — — EP disclosed
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