SCHEMBL8246133

SCHEMBL8246133

CCCCCCCC(=O)Nc1cc(NCC(O)CNC(=O)c2ccc(Cl)s2)ccc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
F10 P00742 7/20 0.40
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL13479590 0.98 NPSR1 (0.46) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL8361475 0.88 NPSR1 (0.42) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL8244920 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDF10KMT2A
SCHEMBL78813 0.82 F10 (0.48) NPSR1SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL87218 0.77 F10 (0.68) F10
SCHEMBL8215265 0.77 F10 (0.67) F10
SCHEMBL87173 0.76 F10 (0.68) F10
SCHEMBL15500462 0.76 F10 (0.44) SMN1; SMN2NPC1F10TSHRMAPK1
SCHEMBL13093562 0.75 F10 (0.47) NPSR1SMN1; SMN2F10TSHRKMT2A
SCHEMBL13479697 0.74 ALDH1A1 (0.41) NPSR1ALDH1A1KDM4EHPGDF10

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
WO-2007039134-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS BAYER HEALTHCARE AG (DE) 2007-04-12 WO disclosed