SCHEMBL4537842

SCHEMBL4537842

CN1CCC(N2CC[CH]CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
NCF1 P14598 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM1A O60341 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL4542536 0.88 ALDH1A1 (0.32) ALDH1A1L3MBTL1NCF1ALOX15KDM1A
SCHEMBL1394992 0.86 L3MBTL1 (0.41) ALDH1A1L3MBTL1L3MBTL3NCF1ALOX15
SCHEMBL4542912 0.84
SCHEMBL4542445 0.80 ALDH1A1 (0.34) ALDH1A1L3MBTL1NCF1ALOX15KDM1A
SCHEMBL23588994 0.80 ALDH1A1 (0.34) ALDH1A1L3MBTL1L3MBTL3NCF1
SCHEMBL1908657 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1L3MBTL3NCF1
SCHEMBL358559 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1L3MBTL3NCF1
SCHEMBL8272496 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1L3MBTL3NCF1
SCHEMBL23588990 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1L3MBTL3NCF1SMN1; SMN2
SCHEMBL8439285 0.79 NCF1 (0.41) ALDH1A1L3MBTL1L3MBTL3NCF1ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO claimed
CN-107501241-B Compounds, pharmaceutical compositions containing them and their use in the treatment of proliferative diseases 梅制药公司 2020-10-13 CN disclosed
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO disclosed
WO-2009071691-A2 OXINDOLE DERIVATIVES AND THE USE THEREOF AS A MEDICATION ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed