SCHEMBL8559828

SCHEMBL8559828

O=C(NSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Sc2nc3ccccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.55
KDR P35968 6/20 0.45
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
POLB P06746 1/20 0.44
BRAF P15056 2/20 0.43
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
GRM4 Q14833 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8559829 0.84 CTSD (0.53) CTSDKDRHSPD1PTPN2PTPN1
SCHEMBL8561560 0.80 CTSD (0.55) CTSDKDRHSPD1HSPE1BRAF
SCHEMBL8561501 0.80 BRAF (0.47) KDRBRAFKITFLT3GRM4
SCHEMBL7947680 0.74 IL2 (0.54) KDRBRAFKITFLT3GRM4
SCHEMBL8563314 0.73 CTSD (0.48) CTSDKDRBRAFKITFLT3
SCHEMBL8564250 0.72 KDR (0.60) CTSDKDRBRAFKITFLT3
SCHEMBL28030477 0.68 DDAH1 (0.54) CTSDPOLBMEN1TSHRKMT2A
SCHEMBL11375683 0.68 NPC1 (0.56) KDRHSPD1PTPN2PTPN1PTPN5
SCHEMBL15677877 0.67 KDR (0.52) KDRBRAFGRM4TRPV1MEN1
SCHEMBL18615348 0.66 KDR (0.85) KDRGRM4TRPV1CA9CA1

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