SCHEMBL13664982

SCHEMBL13664982

CN(C)C(=O)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(CC(=O)N4CCOCC4)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.41
▸ F10 P00742 9/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13664981 0.94 F10 (0.41) JAK1F10SMN1; SMN2KMT2AHSD17B10
SCHEMBL13665068 0.92 JAK1 (0.42) JAK1SMN1; SMN2KMT2AHSD17B10
SCHEMBL13664987 0.90 JAK1 (0.42) JAK1F10SMN1; SMN2KMT2A
SCHEMBL13664967 0.88 SMN1; SMN2 (0.44) F10SMN1; SMN2KMT2AHSD17B10
SCHEMBL13664980 0.88 SMN1; SMN2 (0.44) JAK1F10SMN1; SMN2KMT2AHSD17B10
SCHEMBL4318072 0.88 F10 (0.45) JAK1F10SMN1; SMN2MAPK1
SCHEMBL4318062 0.88 F10 (0.45) JAK1F10SMN1; SMN2MAPK1
SCHEMBL13664961 0.87 SMN1; SMN2 (0.43) F10SMN1; SMN2KMT2AHSD17B10
SCHEMBL13665067 0.86 NPC1 (0.41) JAK1SMN1; SMN2KMT2AHSD17B10
SCHEMBL13664986 0.86 F10 (0.42) JAK1F10SMN1; SMN2KMT2AHSD17B10

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-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 — — US disclosed
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