SCHEMBL27535766

SCHEMBL27535766

CCCCSn1cnc2cncnc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.40
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ LTA4H P09960 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HBB P68871 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ DNMT3B Q9UBC3 1/20 0.30
▸ USP2 O75604 1/20 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
SCHEMBL10923934 0.94 FDPS (0.38) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL7592031 0.84 FDPS (0.40) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL9335182 0.77 — —
SCHEMBL1371020 0.75 FDPS (0.40) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL2563784 0.74 FDPS (0.38) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL3691691 0.72 FDPS (0.48) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL11543167 0.72 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL9081767 0.71 HDAC1 (0.40) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL8649807 0.71 FDPS (0.47) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL21311452 0.71 FDPS (0.41) FDPSCYP1A2TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085673-C Phosphonate-nucleotide compounds MITSUBISHI CHEM CORP (JP) 2002-05-29 — — CN disclosed
CN-1232466-A Phosphonate-nucleotide compounds MITSUBISHI CHEM CORP (JP) 1999-10-20 — — CN disclosed
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