SCHEMBL8440588

SCHEMBL8440588

O=C(COc1ccccc1)SCCNS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
GAA P10253 1/20 0.60
SGMS1 Q86VZ5 5/20 0.56
LMNA P02545 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TBXA2R P21731 1/20 0.49
TBXAS1 P24557 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48

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 0.91 TBXA2R (0.57) ALDH1A1GAASGMS1LMNACYP1A2
SCHEMBL8441480 0.88 SGMS1 (0.56) ALDH1A1GAASGMS1TBXA2RTBXAS1
SCHEMBL8442977 0.88 SGMS1 (0.55) ALDH1A1GAASGMS1CYP2C9TBXA2R
SCHEMBL8437961 0.88 MEN1 (0.54) ALDH1A1GAASGMS1LMNACYP2C9
SCHEMBL8440903 0.87 ALDH1A1 (0.62) ALDH1A1SGMS1CYP3A4CYP2C9HSD17B10
SCHEMBL8438768 0.85 ALDH1A1 (0.52) ALDH1A1SGMS1LMNACYP2C9TBXA2R
SCHEMBL8437798 0.85 ALDH1A1 (0.59) ALDH1A1GAASGMS1LMNASMN1; SMN2
SCHEMBL8441006 0.84 ALDH1A1 (0.43) ALDH1A1GAASGMS1CYP1A2CYP3A4
SCHEMBL8438055 0.81 ALDH1A1 (0.64) ALDH1A1GAASGMS1LMNATAAR1
SCHEMBL8440911 0.81 NAMPT (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9NFKB1

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