SCHEMBL8559829

SCHEMBL8559829

FC(F)(F)c1cc(NC(=S)Nc2ccc(Sc3nc4ccccc4o3)cc2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.53
KDR P35968 7/20 0.50
BRAF P15056 5/20 0.50
FLT3 P36888 3/20 0.50
KIT P10721 2/20 0.50
LMNA P02545 1/20 0.46
HSPD1 P10809 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
HSPE1 P61604 1/20 0.44
GRM4 Q14833 1/20 0.44
EGFR P00533 2/20 0.44
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8559828 0.84 CTSD (0.55) CTSDKDRBRAFFLT3KIT
SCHEMBL8561654 0.80 KDR (0.58) CTSDKDRBRAFFLT3KIT
SCHEMBL8562462 0.79 KDR (0.54) KDRBRAFFLT3KITLMNA
SCHEMBL8561504 0.78 KDR (0.50) KDRBRAFFLT3KITLMNA
SCHEMBL8561563 0.78 CTSD (0.56) CTSDKDRBRAFFLT3KIT
SCHEMBL8566456 0.77 KDR (0.58) KDRBRAFFLT3KITLMNA
SCHEMBL8562560 0.76 BRAF (0.64) KDRBRAFFLT3KITLMNA
SCHEMBL8563685 0.76 KDR (0.54) KDRBRAFFLT3KITLMNA
SCHEMBL4555026 0.74 LMNA (0.75) KDRBRAFLMNAGRM4MAPT
SCHEMBL8565704 0.74 KDR (0.58) CTSDKDRBRAFFLT3KIT

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