SCHEMBL8779318

SCHEMBL8779318

O=C(Nc1nnc(SCc2ccccc2)s1)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.65
SRC P12931 3/20 0.65
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
KDM4E B2RXH2 3/20 0.63
GAA P10253 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 1/20 0.63
RECQL P46063 1/20 0.63
ABCC8 Q09428 3/20 0.63
KCNJ11 Q14654 3/20 0.63
PKM P14618 2/20 0.62
LMNA P02545 3/20 0.61
DGAT1 O75907 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 1/20 0.58
POLB P06746 1/20 0.57
HPGD P15428 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
SCHEMBL8779355 0.83 RAB9A (0.70) ABL1SRCKMT2AMEN1KDM4E
SCHEMBL3612969 0.83 SMN1; SMN2 (0.76) ABL1SRCKMT2AMEN1KDM4E
SCHEMBL8779366 0.82 ABL1 (0.84) ABL1SRCKMT2AMEN1KDM4E
SCHEMBL28451175 0.81 ABL1 (0.67) ABL1SRCKMT2AMEN1KDM4E
SCHEMBL28415513 0.80 ABCC8 (0.56) ABL1SRCKMT2AMEN1KDM4E
SCHEMBL7483795 0.78 MEN1 (0.65) ABL1SRCKMT2AMEN1KDM4E
SCHEMBL9593578 0.76 ABL1 (0.60) ABL1SRCKMT2AMEN1KDM4E
SCHEMBL601080 0.76 DGAT1 (1.00) ABL1SRCDGAT1
SCHEMBL601079 0.76 DGAT1 (1.00) ABL1SRCDGAT1
SCHEMBL8779385 0.75 MEN1 (0.58) ABL1SRCKMT2AMEN1KDM4E

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