SCHEMBL5284873

SCHEMBL5284873

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3c(F)c(F)c(Br)c(F)c3F)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ABL1 P00519 1/20 0.35
TSHR P16473 1/20 0.34
NOTUM Q6P988 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTGFR P43088 4/20 0.33

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
SCHEMBL5286971 0.93 RAB9A (0.42) GAAMEN1KMT2ANPC1RAB9A
SCHEMBL2297477 0.84 TLR8 (0.39) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2294478 0.84 NPC1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2297005 0.84 MAPT (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2291245 0.84 RAB9A (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2298688 0.84 NPC1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2298763 0.83 NPC1 (0.37) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2298655 0.82 RAB9A (0.48) GAANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2299723 0.82 GRM4 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL5285837 0.81 NPC1 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed