SCHEMBL8563314

SCHEMBL8563314

O=C(NSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Sc2nc3cc(Cl)ccc3s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 0.48
KDR P35968 4/20 0.46
BRAF P15056 2/20 0.45
KIT P10721 1/20 0.45
FLT3 P36888 1/20 0.45
CTRC Q99895 2/20 0.44
GLB1 P16278 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARA Q07869 4/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL8561560 0.90 CTSD (0.55) CTSDKDRBRAFKITFLT3
SCHEMBL8563315 0.84 KDR (0.51) CTSDKDRBRAFKITFLT3
SCHEMBL8561563 0.74 CTSD (0.56) CTSDKDRBRAFKITFLT3
SCHEMBL8561501 0.73 BRAF (0.47) KDRBRAFKITFLT3
SCHEMBL8559828 0.73 CTSD (0.55) CTSDKDRBRAFKITFLT3
SCHEMBL28942660 0.73 CTSD (0.51) CTSDKDRMEN1MAPTKMT2A
SCHEMBL29612906 0.73 CTSD (0.51) CTSDKDRMEN1MAPTKMT2A
SCHEMBL29612951 0.71 CTSD (0.53) CTSDCTRCGLB1MEN1NPC1
SCHEMBL28760749 0.71 CTSD (0.53) CTSDCTRCGLB1MEN1NPC1
SCHEMBL10838242 0.71 CTSD (0.65) CTSDMEN1NPC1MAPTKMT2A

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-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed