SCHEMBL5013263

SCHEMBL5013263

CCOC(=O)c1cc(Nc2ccnc3cc(C(C)C)ncc23)c(Sc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DNMT1 P26358 1/20 0.31
▸ DNMT3A Q9Y6K1 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MDM2 Q00987 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ KDR P35968 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
SCHEMBL1455020 0.81 ABL1 (0.37) EPHX2ABL1KITKDR
SCHEMBL1455508 0.78 EPHX2 (0.46) EPHX2ABL1KITMAPTMEN1
SCHEMBL1455403 0.74 EPHX2 (0.46) EPHX2MEN1KMT2A
SCHEMBL14914206 0.65 EPHX2 (0.58) EPHX2MAPTMEN1NPC1KMT2A
SCHEMBL21303580 0.63 EPHX2 (0.51) EPHX2KMT2ADNMT1DNMT3ALMNA
SCHEMBL15160758 0.62 EPHX2 (0.62) EPHX2NPC1KMT2A
SCHEMBL8366871 0.62 EPHX2 (0.64) EPHX2NPC1KMT2ALMNAMDM2
SCHEMBL12071180 0.61 EPHX2 (0.67) EPHX2MEN1KMT2A
SCHEMBL17247418 0.61 EPHX2 (0.52) EPHX2KMT2ACTSK
SCHEMBL4499693 0.60 EPHX2 (0.56) EPHX2MAPTMEN1NPC1KMT2A

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-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — WO disclosed
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