SCHEMBL3435899

SCHEMBL3435899

CCOP(=O)(NCC1CCCN(C(=O)OCc2ccccc2)C1)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ ADAM17 P78536 1/20 0.49
▸ ADAM9 Q13443 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ GRIN2B Q13224 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ JAK3 P52333 2/20 0.44

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
SCHEMBL10154348 0.84 LCK (0.54) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL22869197 0.82 SMN1; SMN2 (0.56) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL4144887 0.80 SMN1; SMN2 (0.51) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL1320424 0.79 SMN1; SMN2 (0.58) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL3272711 0.79 SMN1; SMN2 (0.58) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL3277927 0.79 SMN1; SMN2 (0.58) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL5368184 0.78 ALDH1A1 (0.56) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL2499417 0.78 SMN1; SMN2 (0.56) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL1843641 0.78 SMN1; SMN2 (0.56) LCKSMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL8696423 0.78 SMN1; SMN2 (0.56) LCKMMP3SMN1; SMN2NPC1RAB9A

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-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 — — EP disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 — — WO disclosed
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