SCHEMBL3709987

SCHEMBL3709987

CCCCOC(=O)c1cc(-c2ccc(C#Cc3cccnc3)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ MTOR P42345 2/20 0.41
▸ PIK3CA P42336 6/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PIK3CG P48736 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL13188764 0.90 POLB (0.50) POLBLMNAHTTHSD17B10GPR55
SCHEMBL3710281 0.84 GAA (0.43) POLBHSD17B10PIK3CAL3MBTL1GAA
SCHEMBL3713408 0.82 L3MBTL1 (0.39) POLBLMNAL3MBTL1P2RY12ALDH1A1
SCHEMBL3713386 0.80 L3MBTL1 (0.46) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL3714882 0.78 L3MBTL1 (0.49) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL3713958 0.77 L3MBTL1 (0.42) LMNAL3MBTL1P2RY12ALDH1A1MAPT
SCHEMBL3711572 0.75 MAPT (0.47) POLBLMNAHTTHSD17B10GPR55
SCHEMBL3709302 0.75 BCHE (0.44) L3MBTL1MEN1TSHRKMT2ATP53
SCHEMBL3713050 0.74 TSHR (0.44) POLBLMNAHTTHSD17B10GPR55
SCHEMBL3714505 0.74 PIK3CA (0.48) HSD17B10MTORPIK3CAPIK3CGMAPT

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