SCHEMBL18058760

SCHEMBL18058760

O=C1C(N2CCOCC2)=CCCN1c1ccc(Nc2ccc(N3CCC=C(N4CCOCC4)C3=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ RPS6KA2 Q15349 1/20 0.41
▸ MAPT P10636 7/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KDM1A O60341 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 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
SCHEMBL21890845 0.89 RPS6KA3 (0.40) RPS6KA3RPS6KA2MAPTMAPK1TP53
SCHEMBL18058762 0.89 HDAC8 (0.41) RPS6KA3RPS6KA2MAPTMAPK1TP53
SCHEMBL18410384 0.86 MAPT (0.41) RPS6KA3RPS6KA2MAPTMAPK1TP53
SCHEMBL15731795 0.86 PIK3R1 (0.39) MAPTMAPK1TP53SMN1; SMN2MEN1
SCHEMBL20050092 0.84 ALDH1A1 (0.42) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17576245 0.84 AKR1C3 (0.44) MAPTMAPK1TP53SMN1; SMN2MEN1
SCHEMBL1919863 0.84 AKR1C3 (0.44) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL6330031 0.84 KMT2A (0.49) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL29483984 0.84 RAD51 (0.51) PTGS2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL186752 0.84 LMNA (0.51) MAPTMAPK1SMN1; SMN2MEN1KMT2A

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-2017013079-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2017-01-26 — — WO disclosed
EP-3064497-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2016-09-07 — — EP disclosed
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