SCHEMBL8563911

SCHEMBL8563911

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
HTT P42858 5/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
MAPT P10636 4/20 0.64
BLM P54132 4/20 0.61
MEN1 O00255 4/20 0.61
LMNA P02545 4/20 0.61
KMT2A Q03164 4/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
DNMT1 P26358 1/20 0.61
DUSP3 P51452 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
MCL1 Q07820 1/20 0.61

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
SCHEMBL8563248 0.88 HTT (0.65) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL8561139 0.87 HTT (0.67) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL11863849 0.85 HTT (0.64) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL8569537 0.83 HTT (1.00) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL8561964 0.82 HTT (0.75) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL11871659 0.82 HTT (0.57) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL8559872 0.81 HTT (0.73) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL11714626 0.80 RAB9A (0.75) RAB9ANPC1HTTSMN1; SMN2MAPT
SCHEMBL11865712 0.78 CA1 (0.71) RAB9ANPC1HTTSMN1; SMN2BLM
SCHEMBL6379151 0.78 TAS1R3 (0.69) RAB9ANPC1HTTSMN1; SMN2MAPT

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