SCHEMBL3714672

SCHEMBL3714672

CCCCOC(=O)c1cc(C#Cc2ccccc2)nc(NCCN2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ CASP1 P29466 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ACACB O00763 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ GAS6 Q14393 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
SCHEMBL13188415 0.83 KMT2A (0.49) KMT2AMEN1RAB9ALMNAMAPT
SCHEMBL3714487 0.83 KCNH3 (0.40) KMT2AMEN1RAB9ATSHRMAPT
SCHEMBL3714237 0.83 KDM4E (0.43) KMT2AMEN1RAB9ALMNATSHR
SCHEMBL3710281 0.82 GAA (0.43) MAPTHPGDALDH1A1KDM4EGAA
SCHEMBL3713714 0.82 RXFP1 (0.43) KMT2AMEN1RAB9ALMNAMAPT
SCHEMBL3713458 0.81 GRM5 (0.45) LMNATSHRMAPTHPGDALDH1A1
SCHEMBL3713446 0.81 ALDH1A1 (0.47) KMT2AMEN1RAB9ALMNATSHR
SCHEMBL3715992 0.70 MAPK1 (0.43) RAB9ALMNATSHRMAPTL3MBTL1
SCHEMBL3711316 0.68 ALK (0.40) ACACBL3MBTL1HRH3
SCHEMBL3709302 0.68 BCHE (0.44) KMT2AMEN1RAB9ATSHRHPGD

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