SCHEMBL18058762

SCHEMBL18058762

O=C1C(N2CCOCC2)=CCCN1c1ccc(NO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 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
SCHEMBL18058760 0.89 PTGS2 (0.41) HDAC8HDAC6MAPTSMN1; SMN2RPS6KA3
SCHEMBL21890845 0.87 RPS6KA3 (0.40) MAPTSMN1; SMN2RPS6KA3RPS6KA2TDP1
SCHEMBL18410384 0.86 MAPT (0.41) MAPTSMN1; SMN2RPS6KA3RPS6KA2KDM4E
SCHEMBL15731795 0.83 PIK3R1 (0.39) MAPTSMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL1919863 0.82 AKR1C3 (0.44) MAPTSMN1; SMN2ALDH1A1ATMNPC1
SCHEMBL20050092 0.82 ALDH1A1 (0.42) MAPTSMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL29483984 0.82 RAD51 (0.51) MAPTSMN1; SMN2TDP1TSHR
SCHEMBL17576245 0.82 AKR1C3 (0.44) MAPTSMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL6330031 0.82 KMT2A (0.49) MAPTSMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL186752 0.82 LMNA (0.51) MAPTSMN1; SMN2TDP1ALDH1A1TSHR

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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