SCHEMBL8779364

SCHEMBL8779364

CC(=O)Nc1nnc(SCc2ccc(C)cc2)s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.79
CYP2C19 P33261 2/20 0.79
CYP1A2 P05177 1/20 0.79
HTT P42858 1/20 0.79
ALDH1A1 P00352 3/20 0.65
ABCC8 Q09428 1/20 0.64
KCNJ11 Q14654 1/20 0.64
APOBEC3A P31941 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
RAB9A P51151 3/20 0.60
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
ABL1 P00519 1/20 0.58
SRC P12931 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.58
NPC1 O15118 2/20 0.58
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL8779340 0.88 CYP1A2 (0.77) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL3612969 0.88 SMN1; SMN2 (0.76) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL8779363 0.86 HTT (0.73) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL9018863 0.85 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL8779378 0.84 ABL1 (0.70) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL28412934 0.78 MAPT (0.54) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL14970925 0.76 LMNA (0.67) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL5181389 0.76 SMN1; SMN2 (0.69) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL8779367 0.76 KMT2A (0.64) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1
SCHEMBL11117150 0.75 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19CYP1A2HTTALDH1A1

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-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP claimed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP claimed