SCHEMBL8779367

SCHEMBL8779367

COc1cc(CSc2nnc(NC(C)=O)s2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 6/20 0.60
CYP2C19 P33261 2/20 0.60
CYP1A2 P05177 1/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 5/20 0.53
CYP2C9 P11712 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 2/20 0.51
TSHR P16473 1/20 0.50
ABL1 P00519 3/20 0.49
SRC P12931 3/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL8779363 0.81 HTT (0.73) KMT2AMEN1SMN1; SMN2CYP2C19CYP1A2
SCHEMBL3612969 0.77 SMN1; SMN2 (0.76) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
SCHEMBL8779364 0.76 SMN1; SMN2 (0.79) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
SCHEMBL8779340 0.75 CYP1A2 (0.77) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
SCHEMBL9018863 0.72 SMN1; SMN2 (0.72) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
SCHEMBL8779455 0.72 SMN1; SMN2 (0.53) KMT2AMEN1MAPTSMN1; SMN2CYP1A2
SCHEMBL5181389 0.72 SMN1; SMN2 (0.69) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
SCHEMBL8779378 0.71 ABL1 (0.70) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
SCHEMBL11117150 0.70 SMN1; SMN2 (0.58) KMT2AMEN1MAPTSMN1; SMN2CYP2C19
SCHEMBL7484054 0.70 LMNA (0.61) KMT2AMEN1MAPTSMN1; SMN2CYP2C19

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