SCHEMBL8779355

SCHEMBL8779355

CCC(=O)Nc1nnc(SCc2ccccc2)s1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.70
ALDH1A1 P00352 5/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
KDM4E B2RXH2 2/20 0.65
GAA P10253 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
RECQL P46063 1/20 0.65
ABCC8 Q09428 5/20 0.64
KCNJ11 Q14654 5/20 0.64
ABL1 P00519 3/20 0.63
SRC P12931 3/20 0.63
LMNA P02545 1/20 0.62
ALOX15 P16050 1/20 0.61
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.59

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
SCHEMBL28451175 0.87 ABL1 (0.67) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL3612969 0.86 SMN1; SMN2 (0.76) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL8779324 0.86 ALDH1A1 (0.59) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL8779318 0.83 ABL1 (0.65) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL8779366 0.83 ABL1 (0.84) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL9593578 0.82 ABL1 (0.60) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL25387786 0.82 ALDH1A1 (0.74) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12297933 0.80 ABL1 (0.71) RAB9AALDH1A1KMT2AMEN1KDM4E
SCHEMBL8779385 0.79 MEN1 (0.58) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL28415513 0.79 ABCC8 (0.56) RAB9AALDH1A1KMT2AMEN1KDM4E

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 5 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
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP disclosed
US-5401853-A Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.R.L. (IT) 1995-03-28 US disclosed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP disclosed