SCHEMBL8437798

SCHEMBL8437798

O=C(COc1ccccc1)SCCNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HRAS P01112 1/20 0.48
KRAS P01116 1/20 0.48
TPSAB1 Q15661 1/20 0.47
RAPGEF3 O95398 1/20 0.47
KAT6A Q92794 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPY1R P25929 1/20 0.47
NPY5R Q15761 1/20 0.47
SGMS1 Q86VZ5 2/20 0.47

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
SCHEMBL8442526 0.88 TBXA2R (0.57) ALDH1A1LMNAGAASMN1; SMN2NPSR1
SCHEMBL8442977 0.85 SGMS1 (0.55) ALDH1A1GAASGMS1
SCHEMBL8441480 0.85 SGMS1 (0.56) ALDH1A1GAASGMS1
SCHEMBL8437961 0.85 MEN1 (0.54) ALDH1A1LMNAGAANPSR1SGMS1
SCHEMBL8440588 0.85 ALDH1A1 (0.60) ALDH1A1LMNAGAASMN1; SMN2SGMS1
SCHEMBL8440903 0.84 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2NPSR1SGMS1
SCHEMBL7924104 0.83 ALDH1A1 (0.58) ALDH1A1LMNAGAASMN1; SMN2HRAS
SCHEMBL8438768 0.82 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2SGMS1
SCHEMBL8439052 0.81 VCAM1 (0.54) ALDH1A1LMNANPSR1
SCHEMBL14712382 0.81 NPSR1 (0.67) ALDH1A1LMNAGAASMN1; SMN2HRAS

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-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed