SCHEMBL8342783

SCHEMBL8342783

CCN1c2ccccc2SC1OS(=O)(=O)OC1Sc2ccccc2N1CC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCHE P06276 5/20 0.35
▸ PPARG P37231 1/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ POLB P06746 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KDM1A O60341 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
SCHEMBL8635961 0.87 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B
SCHEMBL9004674 0.83 VDR (0.38) ALDH1A1SMN1; SMN2BCHEGSK3BPKM
SCHEMBL28149247 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B
SCHEMBL27410253 0.74 HTR7 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL378842 0.74 GSK3B (0.38) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B
SCHEMBL29366806 0.74 GSK3B (0.38) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B
Ammonia Solution, Strong SCHEMBL3860163 0.73 GSK3B (0.38) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B
Ammonia Solution, Strong SCHEMBL30286004 0.73 GSK3B (0.38) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B
Ammonia Solution, Strong SCHEMBL4411335 0.73 GSK3B (0.38) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B
Ammonia Solution, Strong SCHEMBL28099769 0.73 GSK3B (0.38) ALDH1A1SMN1; SMN2BCHEPPARGGSK3B

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-1999012576-A2 METHODS AND COMPOSITIONS FOR TREATING CARDIAC AND RENAL DISORDERS WITH ATRIAL NATRIURETIC PEPTIDE AND TISSUE KALLIKREIN GENE THERAPY MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 1999-03-18 — — WO disclosed
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