SCHEMBL8565680

SCHEMBL8565680

CCCCCCSc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
HTT P42858 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HIF1A Q16665 1/20 0.59
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
LMNA P02545 5/20 0.54
BLM P54132 3/20 0.52
GAA P10253 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
DNMT1 P26358 1/20 0.52
DUSP3 P51452 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 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
SCHEMBL7487336 0.80 MAPT (0.60) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL11871659 0.78 HTT (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL11868024 0.78 CA1 (0.65) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3467894 0.77 MEN1 (0.62) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3467177 0.76 RAB9A (0.64) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8569537 0.75 HTT (1.00) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8561964 0.74 HTT (0.75) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10800511 0.73 RAB9A (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8559872 0.73 HTT (0.73) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3467864 0.73 MEN1 (0.59) MAPTMEN1KMT2AHTTSMN1; SMN2

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-3990879-A SUBSTITUTED 1-THIADIAZOLYL-3-ARYL-UREAS ELI LILLY AND COMPANY (US) 1976-11-09 US disclosed