SCHEMBL8103862

SCHEMBL8103862

Bc1ccc(F)c(-c2nnc(C)o2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
BRD4 O60885 1/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDK2 Q15119 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
LRRK2 Q5S007 2/20 0.34
GUSB P08236 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL13103800 0.83 NOTUM (0.42) NOTUMBRD4NPC1RAB9ARXFP1
SCHEMBL4287576 0.80 GPR84 (0.40) NOTUMBRD4CA12CA1CA2
SCHEMBL10202698 0.78 LMNA (0.41) NOTUMBRD4NPC1RAB9ACA12
SCHEMBL14817732 0.78 SPHK2 (0.41) NOTUMBRD4NPC1RAB9ARXFP1
SCHEMBL13393578 0.75 NPC1 (0.55) NOTUMBRD4NPC1RAB9ARXFP1
SCHEMBL18567895 0.73 NOTUM (0.46) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16573949 0.72 NOTUM (0.45) NOTUMBRD4NPC1RAB9ARXFP1
SCHEMBL26206906 0.72 NOTUM (0.45) NOTUMBRD4NPC1RAB9ACA12
SCHEMBL8126280 0.72 NPC1 (0.48) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13844166 0.71 CA12 (0.40) NOTUMBRD4NPC1RAB9ACA12

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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed