SCHEMBL9520987

SCHEMBL9520987

CNC(=S)C1(c2cccnc2)CCCCC1OC(=O)CCC(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
P2RX7 Q99572 3/20 0.34
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
CNR2 P34972 1/20 0.31
PKM P14618 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9491696 1.00 SLC6A2 (0.37) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9491816 0.91 ITGA4 (0.36) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9520740 0.91 ITGA4 (0.36) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9520282 0.90 P2RX7 (0.35) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9492227 0.90 P2RX7 (0.35) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9491001 0.89 GAA (0.37) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9520580 0.89 GAA (0.37) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9491888 0.87 ITGA4 (0.37) SLC6A2SLC6A4P2RX7ITGA4ITGB7
SCHEMBL9491885 0.86 CYP1A2 (0.39) P2RX7ITGA4ITGB7ALDH1A1CYP2C9
SCHEMBL9521814 0.86 CYP1A2 (0.39) P2RX7ITGA4ITGB7ALDH1A1CYP2C9

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
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP disclosed