SCHEMBL9520740

SCHEMBL9520740

CNC(=S)C1(c2cccnc2)CCCCC1OC(=O)CCC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.36
ITGB7 P26010 3/20 0.36
P2RX7 Q99572 3/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
GAA P10253 3/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL9491816 1.00 ITGA4 (0.36) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9520282 0.93 P2RX7 (0.35) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9492227 0.93 P2RX7 (0.35) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9491001 0.92 GAA (0.37) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9520580 0.92 GAA (0.37) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9491696 0.91 SLC6A2 (0.37) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9520987 0.91 SLC6A2 (0.37) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9490262 0.90 ITGA4 (0.36) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9491888 0.90 ITGA4 (0.37) ITGA4ITGB7P2RX7SLC6A2SLC6A4
SCHEMBL9521814 0.89 CYP1A2 (0.39) ITGA4ITGB7P2RX7KMT2ATBXAS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP disclosed
EP-0390693-A1 Thioformamide derivatives RHONE-POULENC SANTE (FR) 1990-10-03 EP disclosed