SCHEMBL8438768

SCHEMBL8438768

O=C(COc1ccccc1)SCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
SGMS1 Q86VZ5 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP19A1 P11511 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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) ALDH1A1KMT2AMEN1TBXA2RTBXAS1
SCHEMBL8441480 0.85 SGMS1 (0.56) ALDH1A1MAPTKMT2AMEN1TBXA2R
SCHEMBL8440588 0.85 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1TBXA2R
SCHEMBL8437961 0.85 MEN1 (0.54) ALDH1A1MAPTKMT2AMEN1TBXA2R
SCHEMBL8442977 0.85 SGMS1 (0.55) ALDH1A1KMT2AMEN1TBXA2RTBXAS1
SCHEMBL8440903 0.84 ALDH1A1 (0.62) ALDH1A1MAPTKMT2AMEN1TBXA2R
SCHEMBL8439052 0.83 VCAM1 (0.54) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL8442665 0.83 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8437798 0.82 ALDH1A1 (0.59) ALDH1A1SGMS1LMNASMN1; SMN2
SCHEMBL7918909 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1TBXA2R

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