SCHEMBL8563248

SCHEMBL8563248

CC(C)(CCl)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
BLM P54132 4/20 0.57
MEN1 O00255 4/20 0.57
LMNA P02545 4/20 0.57
KMT2A Q03164 4/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
DNMT1 P26358 1/20 0.57
DUSP3 P51452 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
MCL1 Q07820 1/20 0.57
WRN Q14191 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
SCHEMBL8563911 0.88 RAB9A (0.74) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL9274366 0.86 MEN1 (0.47) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL9524249 0.86 MEN1 (0.47) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL11871659 0.85 HTT (0.57) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL8561139 0.83 HTT (0.67) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL11863849 0.81 HTT (0.64) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL8569537 0.79 HTT (1.00) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL8561964 0.79 HTT (0.75) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL8559872 0.77 HTT (0.73) HTTSMN1; SMN2RAB9ANPC1BLM
SCHEMBL11865712 0.74 CA1 (0.71) HTTSMN1; SMN2RAB9ANPC1BLM

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 1 patent. 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