SCHEMBL8779324

SCHEMBL8779324

CCCCCCC(=O)Nc1nnc(SCc2ccccc2)s1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.58
ABCC8 Q09428 3/20 0.58
KCNJ11 Q14654 3/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RECQL P46063 1/20 0.57
ABL1 P00519 3/20 0.56
SRC P12931 3/20 0.56
LMNA P02545 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL9593578 0.87 ABL1 (0.60) ALDH1A1POLBRAB9AABCC8KCNJ11
SCHEMBL8779355 0.86 RAB9A (0.70) ALDH1A1POLBRAB9AABCC8KCNJ11
SCHEMBL9593548 0.80 MAPK1 (0.66) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL12297933 0.79 ABL1 (0.71) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL9403495 0.78 SMN1; SMN2 (0.56) ALDH1A1POLBRAB9AABCC8KCNJ11
SCHEMBL8779366 0.77 ABL1 (0.84) ALDH1A1RAB9AABCC8KCNJ11MEN1
SCHEMBL25387786 0.76 ALDH1A1 (0.74) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL8779318 0.75 ABL1 (0.65) ALDH1A1POLBRAB9AABCC8KCNJ11
SCHEMBL8779385 0.73 MEN1 (0.58) ALDH1A1POLBABCC8KCNJ11MEN1
SCHEMBL7479383 0.73 EPHX2 (0.62) ALDH1A1RAB9AMAPTRXFP1

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