SCHEMBL8561563

SCHEMBL8561563

FC(F)(F)c1cc(NC(=S)Nc2ccc(Sc3nc4ccccc4s3)cc2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.56
KDR P35968 4/20 0.52
BRAF P15056 3/20 0.52
FLT3 P36888 3/20 0.52
KIT P10721 2/20 0.52
EGFR P00533 1/20 0.48
HSPD1 P10809 4/20 0.48
HSPE1 P61604 4/20 0.48
LMNA P02545 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GRM4 Q14833 1/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8563315 0.89 KDR (0.51) CTSDKDRBRAFFLT3KIT
SCHEMBL8561560 0.84 CTSD (0.55) CTSDKDRBRAFFLT3KIT
SCHEMBL8562462 0.81 KDR (0.54) KDRBRAFFLT3KITEGFR
SCHEMBL8561654 0.80 KDR (0.58) CTSDKDRBRAFFLT3KIT
SCHEMBL8561504 0.78 KDR (0.50) KDRBRAFFLT3KITEGFR
SCHEMBL8559829 0.78 CTSD (0.53) CTSDKDRBRAFFLT3KIT
SCHEMBL8566456 0.77 KDR (0.58) KDRBRAFFLT3KITEGFR
SCHEMBL8562560 0.76 BRAF (0.64) KDRBRAFFLT3KITEGFR
SCHEMBL8563685 0.76 KDR (0.54) KDRBRAFFLT3KITEGFR
SCHEMBL8562810 0.74 KDR (0.57) KDRBRAFFLT3KITEGFR

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