SCHEMBL3714879

SCHEMBL3714879

CCOC(=O)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc(N2CCC(N)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ MAP4K2 Q12851 1/20 0.40
▸ CAMK2D Q13557 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40

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
SCHEMBL13188473 0.86 PIK3CA (0.46) MAPK1SMN1; SMN2DPP4PIK3CAPRKD2
SCHEMBL13188565 0.81 HDAC6 (0.50) RAB9ASMN1; SMN2PRKD2PARP1
SCHEMBL3715095 0.78 CHKA (0.47) MAPK1SMN1; SMN2PIK3CA
SCHEMBL3717935 0.76 MAPK1 (0.50) MAPK1SMN1; SMN2MMP13MMP2MMP8
SCHEMBL3711313 0.75 MAPK1 (0.49) MAPK1SMN1; SMN2MMP13MMP2MMP8
SCHEMBL3716532 0.74 LMNA (0.54) LMNAMAPTTSHRMAPK1STAT3
SCHEMBL13188784 0.73 HDAC1 (0.51) —
SCHEMBL3711200 0.73 PRKD1 (0.41) PIM1PIM3PRKD2
SCHEMBL14715398 0.72 MAPK1 (0.65) LMNAMAPTTSHRMAPK1STAT3
SCHEMBL3714558 0.72 JAK1 (0.49) MAPK1SMN1; SMN2DYRK1AMMP13MMP2

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
Send feedback