SCHEMBL16208459

SCHEMBL16208459

O=C1CCc2cc(Nc3cccc([N+](=O)[O-])c3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 1.00
▸ PGR P06401 1/20 0.52
▸ CRBN Q96SW2 1/20 0.52
▸ BAZ1A Q9NRL2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ BCL6 P41182 1/20 0.47
▸ BCOR Q6W2J9 1/20 0.47
▸ PKM P14618 3/20 0.46

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
SCHEMBL30114516 0.82 PKM (0.71) KIF11LMNAPKM
SCHEMBL28962166 0.82 PKM (0.71) KIF11LMNAPKM
SCHEMBL16208480 0.81 KIF11 (0.72) KIF11CRBNNPC1PKM
SCHEMBL516986 0.81 KIF11 (0.67) KIF11PGRMEN1NPC1KMT2A
SCHEMBL16208500 0.79 KIF11 (0.67) KIF11CRBNPKM
SCHEMBL16208502 0.79 KIF11 (0.67) KIF11CRBNPKM
SCHEMBL25875012 0.79 KIF11 (0.65) KIF11CRBNMEN1KMT2ABCL6
SCHEMBL16208495 0.78 KIF11 (0.65) KIF11CRBNNPC1PKM
SCHEMBL16208513 0.76 KIF11 (0.62) KIF11CRBN
SCHEMBL16208517 0.76 KIF11 (0.72) KIF11CRBNMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014174745-A1 Eg5 INHIBITOR 国立大学法人京都大学 (JP) 2014-10-30 — — WO disclosed
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