SCHEMBL8554117

SCHEMBL8554117

Cc1nc(CCCOc2c(C)cc(C#N)cc2C)cs1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
GAA P10253 3/20 0.38
HTT P42858 3/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
FABP6 P51161 1/20 0.35
SCN8A Q9UQD0 2/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL8556463 0.86 HDAC1 (0.34) GAASMN1; SMN2SCN8A
SCHEMBL6979992 0.76 SCN8A (0.36) TSHRSCN8AMAPT
SCHEMBL8824480 0.75 SCN8A (0.38) GRM5GAASCN8AMAPT
SCHEMBL8824433 0.75 SCN8A (0.38) GAASCN8AMAPT
SCHEMBL8663366 0.75 SCN8A (0.47) GRM5SMN1; SMN2LMNASCN8AMAPT
SCHEMBL9089326 0.75 SCN8A (0.36) GAASCN8A
SCHEMBL8552613 0.74 NR1I2 (0.47) GAAHTTKMT2AL3MBTL1SMN1; SMN2
SCHEMBL9090767 0.74 SCN8A (0.35) KMT2ASCN8A
SCHEMBL8824523 0.73 SCN8A (0.37) GRM5HTTKMT2ASMN1; SMN2SCN8A
SCHEMBL8992092 0.73 SCN8A (0.39) GRM5SCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed