SCHEMBL8560174

SCHEMBL8560174

O=[N+]([O-])c1c(Sc2ccc(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.49
BRAF P15056 6/20 0.49
KIT P10721 4/20 0.49
FLT3 P36888 3/20 0.49
GRM4 Q14833 1/20 0.46
EGFR P00533 2/20 0.43
ARNT P27540 1/20 0.41
EPAS1 Q99814 1/20 0.41
LMNA P02545 1/20 0.40
RIPK1 Q13546 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL8566456 0.82 KDR (0.58) KDRBRAFKITFLT3GRM4
SCHEMBL8560980 0.75 KDR (0.56) KDRBRAFKITFLT3GRM4
SCHEMBL8562560 0.75 BRAF (0.64) KDRBRAFKITFLT3GRM4
SCHEMBL7178922 0.71 GRM4 (0.86) KDRBRAFKITFLT3GRM4
SCHEMBL8568008 0.71 PDE7A (0.44) LMNA
SCHEMBL8562462 0.69 KDR (0.54) KDRBRAFKITFLT3GRM4
SCHEMBL8563685 0.69 KDR (0.54) KDRBRAFKITFLT3GRM4
SCHEMBL4555026 0.69 LMNA (0.75) KDRBRAFGRM4LMNATRPV1
SCHEMBL8565704 0.69 KDR (0.58) KDRBRAFKITFLT3GRM4
SCHEMBL8561654 0.69 KDR (0.58) KDRBRAFKITFLT3GRM4

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