SCHEMBL8440909

SCHEMBL8440909

O=C(O)C(Oc1ccccc1)SCCNS(=O)(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.48
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TBXA2R P21731 2/20 0.44
NAMPT P43490 1/20 0.41
PTGS2 P35354 1/20 0.41
NAPRT Q6XQN6 1/20 0.40

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
SCHEMBL8442525 0.89 TBXA2R (0.52) TBXAS1TBXA2R
SCHEMBL8440583 0.81 ALDH1A1 (0.56) TBXA2R
SCHEMBL8437957 0.81 MEN1 (0.54) TBXA2R
SCHEMBL8441478 0.81 ALDH1A1 (0.48) TBXAS1TBXA2R
SCHEMBL8442976 0.81 ALDH1A1 (0.48) TBXA2R
SCHEMBL8440900 0.81 ALDH1A1 (0.56) TBXA2R
SCHEMBL8437796 0.81 ALDH1A1 (0.56) SLC1A3SLC1A2SLC1A1TBXA2R
SCHEMBL8520794 0.80 TBXAS1 (0.50) TBXAS1SLC1A3SLC1A2SLC1A1TBXA2R
SCHEMBL8438766 0.79 LMNA (0.53) SLC1A3SLC1A2SLC1A1TBXA2R
SCHEMBL8443153 0.79 MEP1B (0.47) TBXA2R

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