SCHEMBL8779347

SCHEMBL8779347

CCCSc1nnc(NC(C)=O)s1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
MAPT P10636 3/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 6/20 0.60
KMT2A Q03164 3/20 0.60
HTT P42858 2/20 0.60
MEN1 O00255 2/20 0.60
HIF1A Q16665 1/20 0.60
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 3/20 0.53
GLS O94925 1/20 0.53
GAA P10253 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
SCHEMBL5181389 0.87 SMN1; SMN2 (0.69) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9720512 0.84 RAB9A (0.67) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL8356401 0.83 SMN1; SMN2 (0.61) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL11117150 0.82 SMN1; SMN2 (0.58) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL10878301 0.79 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2KMT2AHTTMEN1
SCHEMBL8779354 0.78 RAB9A (0.59) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL11717238 0.78 RAB9A (0.55) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL11561076 0.76 RAB9A (0.54) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL19370459 0.76 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2KMT2AHTTMEN1
SCHEMBL11642903 0.76 SMN1; SMN2 (0.54) RAB9AMAPTNPC1SMN1; SMN2KMT2A

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