SCHEMBL11543167

SCHEMBL11543167

NC(=O)CSn1cnc2cncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.42
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ DNMT3B Q9UBC3 1/20 0.36
▸ LMNA P02545 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HBB P68871 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ USP2 O75604 2/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31

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 0.82 HDAC1 (0.40) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL29255940 0.77 FDPS (0.42) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL7592031 0.76 FDPS (0.40) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL6948592 0.74 FDPS (0.55) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL9175319 0.73 FDPS (0.38) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL9177163 0.73 FDPS (0.38) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL2563784 0.73 FDPS (0.38) FDPSHDAC1HDAC6LMNAALDH1A1
SCHEMBL27535766 0.72 FDPS (0.40) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL28495984 0.72 FDPS (0.43) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL1650317 0.72 FDPS (0.52) FDPSHDAC1HDAC6DNMT3BLMNA

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
US-4180576-A Purines useful for the potentiation of antibiotics COMMONWEALTH SCIENTIFIC INDUSTRIAL RESEARCH ORGANIZATION (AU) 1979-12-25 — — US disclosed
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