SCHEMBL8440913

SCHEMBL8440913

O=C(O)C(CCNS(=O)(=O)c1cccnc1)Sc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.51
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 1/20 0.42
TBXA2R P21731 5/20 0.42
NAMPT P43490 1/20 0.42

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
SCHEMBL8442527 0.89 ALDH1A1 (0.49) TBXAS1TDP1TBXA2R
SCHEMBL8442980 0.81 MMP2 (0.47)
SCHEMBL8441482 0.81 ALDH1A1 (0.50) TBXAS1TBXA2R
SCHEMBL8440592 0.81 ALDH1A1 (0.59) TDP1
SCHEMBL8437964 0.81 L3MBTL1 (0.53)
SCHEMBL8437801 0.79 ALDH1A1 (0.57) TBXAS1SLC1A3SLC1A2SLC1A1
SCHEMBL8440906 0.78 ALDH1A1 (0.58)
SCHEMBL8443157 0.78 MEP1B (0.49) TBXA2R
SCHEMBL8438771 0.78 KMT2A (0.53) SLC1A3SLC1A2SLC1A1
SCHEMBL8520794 0.77 TBXAS1 (0.50) TBXAS1SLC1A3SLC1A2SLC1A1TDP1

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