SCHEMBL8440911

SCHEMBL8440911

O=C(COc1ccccc1)SCCNS(=O)(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
TBXAS1 P24557 8/20 0.48
TBXA2R P21731 3/20 0.47
NOTUM Q6P988 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 0.89 TBXA2R (0.57) TBXAS1TBXA2RSMN1; SMN2TSHRALDH1A1
SCHEMBL7919317 0.82 TBXAS1 (0.54) NAMPTTBXAS1TBXA2RSMN1; SMN2TSHR
SCHEMBL8440588 0.81 ALDH1A1 (0.60) TBXAS1TBXA2RSMN1; SMN2TSHRALDH1A1
SCHEMBL8437961 0.81 MEN1 (0.54) TBXAS1TBXA2RTSHRALDH1A1CYP2C9
SCHEMBL8442977 0.81 SGMS1 (0.55) TBXAS1TBXA2RALDH1A1PKMCYP2C9
SCHEMBL8441480 0.81 SGMS1 (0.56) TBXAS1TBXA2RALDH1A1
SCHEMBL8437798 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1
SCHEMBL8440903 0.81 ALDH1A1 (0.62) TBXAS1TBXA2RSMN1; SMN2ALDH1A1PKM
SCHEMBL8438768 0.79 ALDH1A1 (0.52) TBXAS1TBXA2RSMN1; SMN2ALDH1A1PKM
SCHEMBL7920583 0.78 SMN1; SMN2 (0.61) SMN1; SMN2TSHRALDH1A1CYP3A4CYP1A2

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