SCHEMBL18410384

SCHEMBL18410384

CONc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.38

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 0.86 RPS6KA3 (0.40) MAPTALDH1A1PKMNPC1RAB9A
SCHEMBL18058762 0.86 HDAC8 (0.41) MAPTALDH1A1PKMNPC1RAB9A
SCHEMBL18058760 0.86 PTGS2 (0.41) MAPTKMT2AMEN1TP53MAPK1
SCHEMBL17576245 0.82 AKR1C3 (0.44) MAPTALDH1A1KMT2APKMMEN1
SCHEMBL15731795 0.80 PIK3R1 (0.39) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL6330031 0.79 KMT2A (0.49) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL29483984 0.79 RAD51 (0.51) MAPTKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL20050092 0.79 ALDH1A1 (0.42) MAPTALDH1A1KMT2APKMMEN1
SCHEMBL1919863 0.79 AKR1C3 (0.44) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL186752 0.79 LMNA (0.51) MAPTALDH1A1KMT2APKMMEN1

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
EP-3280714-B1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM FIS FABBRICA ITALIANA SINTETICI SPA (IT) 2019-02-06 — — EP disclosed
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
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