SCHEMBL8927263

SCHEMBL8927263

CC(C)=CCOc1cccc(NC(=S)c2c(Cl)csc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 5/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 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
SCHEMBL8927897 0.81 LMNA (0.37) L3MBTL1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL8927820 0.71 MAPT (0.46) L3MBTL1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL3043554 0.68 GAA (0.50) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL17138214 0.68 KDM4E (0.51) GAAMAPTHPGDLMNAMEN1
SCHEMBL599254 0.67 ADRA2A (0.35) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL30101193 0.67 ADRA2A (0.35) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL13138537 0.66 EGFR (0.47) MEN1ALDH1A1KMT2A
SCHEMBL12879334 0.66 LMNA (0.49) L3MBTL1GAALMNAALDH1A1KMT2A
SCHEMBL791805 0.63 LMNA (0.53) LMNAALDH1A1
SCHEMBL11307754 0.62 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT

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
US-5696151-A Compounds useful for the inhibition of the replication of HIV-1 and HIV-1 mutants UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-12-09 US disclosed