SCHEMBL8779378

SCHEMBL8779378

CC(=O)Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.70
SRC P12931 4/20 0.70
HTT P42858 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2C19 P33261 1/20 0.70
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
CSNK2A2 P19784 1/20 0.64
CSNK2B P67870 1/20 0.64
CSNK2A1 P68400 1/20 0.64
MAPT P10636 4/20 0.62
ALDH1A1 P00352 4/20 0.62
LMNA P02545 4/20 0.62
TP53 P04637 1/20 0.60
PTPN1 P18031 1/20 0.58
APOBEC3A P31941 1/20 0.57
APOBEC3G Q9HC16 1/20 0.57
RAB9A P51151 1/20 0.55
ABCC8 Q09428 1/20 0.52

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
SCHEMBL29376207 0.84 MAPT (0.69) ABL1SRCSMN1; SMN2MEN1KMT2A
SCHEMBL8779364 0.84 SMN1; SMN2 (0.79) ABL1SRCHTTSMN1; SMN2CYP1A2
SCHEMBL8779340 0.83 CYP1A2 (0.77) ABL1SRCHTTSMN1; SMN2CYP1A2
SCHEMBL3612969 0.82 SMN1; SMN2 (0.76) ABL1SRCHTTSMN1; SMN2CYP1A2
SCHEMBL9018863 0.82 SMN1; SMN2 (0.72) ABL1SRCHTTSMN1; SMN2CYP1A2
SCHEMBL8779363 0.81 HTT (0.73) ABL1SRCHTTSMN1; SMN2CYP1A2
SCHEMBL5173078 0.79 MEN1 (0.70) HTTSMN1; SMN2MEN1KMT2ACSNK2A2
SCHEMBL8779398 0.76 ALDH1A1 (0.72) ABL1SRCHTTSMN1; SMN2MEN1
SCHEMBL11337858 0.73 KDM4E (0.66) HTTSMN1; SMN2MEN1KMT2ACSNK2A2
SCHEMBL11337854 0.73 KDM4E (0.66) HTTSMN1; SMN2MEN1KMT2ACSNK2A2

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