SCHEMBL9520282

SCHEMBL9520282

CNC(=O)CCC(=O)OC1CCCCC1(C(=S)NC)c1cccnc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CNR2 P34972 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9492227 1.00 P2RX7 (0.35) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9520740 0.93 ITGA4 (0.36) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9491816 0.93 ITGA4 (0.36) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9491001 0.91 GAA (0.37) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9520580 0.91 GAA (0.37) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9520987 0.90 SLC6A2 (0.37) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9491696 0.90 SLC6A2 (0.37) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9491888 0.89 ITGA4 (0.37) P2RX7SLC6A2SLC6A4ITGA4ITGB7
SCHEMBL9521814 0.88 CYP1A2 (0.39) P2RX7ITGA4ITGB7ALDH1A1KMT2A
SCHEMBL9491885 0.88 CYP1A2 (0.39) P2RX7ITGA4ITGB7ALDH1A1KMT2A

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