SCHEMBL6507661

SCHEMBL6507661

[CH2]Cc1ccccc1SSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PDE7A Q13946 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ GAA P10253 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALPG P10696 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ APOBEC3G Q9HC16 2/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL224666 0.84 PDE7A (0.60) ALDH1A1TSHRPDE7ASMN1; SMN2MAPT
SCHEMBL34723 0.80 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2HPGDMEN1
SCHEMBL11027382 0.76 PDE7A (0.56) ALDH1A1TSHRPDE7ASMN1; SMN2MAPT
SCHEMBL11209984 0.76 PDE7A (0.56) ALDH1A1TSHRPDE7ASMN1; SMN2MAPT
SCHEMBL8734150 0.75 PDE7A (0.51) ALDH1A1PDE7ASMN1; SMN2MAPTPKM
SCHEMBL18614898 0.75 PDE7A (0.51) ALDH1A1TSHRPDE7ASMN1; SMN2MAPT
SCHEMBL11319431 0.74 PDE7A (0.55) ALDH1A1TSHRPDE7ASMN1; SMN2MAPT
SCHEMBL2942164 0.74 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL83607 0.73 PDE7A (0.53) ALDH1A1PDE7ASMN1; SMN2MAPTPKM
SCHEMBL14113991 0.72 ALDH1A1 (0.50) ALDH1A1TSHRPDE7ASMN1; SMN2MAPT

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-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 — — WO disclosed
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