SCHEMBL16208489

SCHEMBL16208489

O=c1[nH]c2ccc(Nc3cccc(C(F)(F)F)c3)cc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 10/20 1.00
▸ AKR1C3 P42330 2/20 0.53
▸ AKR1C2 P52895 2/20 0.53
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HTR1A P08908 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ SYK P43405 1/20 0.45

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
SCHEMBL24575928 0.79 KIF11 (0.64) KIF11KMT2AMEN1HTR1AHTR2C
SCHEMBL31068659 0.79 KIF11 (0.64) KIF11KMT2AMEN1HTR1AHTR2C
SCHEMBL1921482 0.75 KIF11 (0.70) KIF11AKR1C3AKR1C2ALDH1A1
SCHEMBL394991 0.75 KIF11 (0.70) KIF11AKR1C3AKR1C2KMT2AMEN1
SCHEMBL16208493 0.75 KIF11 (0.60) KIF11AKR1C3AKR1C2KMT2AHTT
SCHEMBL16208519 0.74 KIF11 (1.00) KIF11AKR1C3AKR1C2KMT2AMEN1
SCHEMBL10338441 0.73 PDE3B (0.60) KIF11KMT2AMEN1ALDH1A1POLB
SCHEMBL1023114 0.71 CMA1 (0.56) KIF11KMT2AMEN1HTR1AHTR2C
SCHEMBL6397413 0.71 KIF11 (0.56) KIF11AKR1C3AKR1C2KMT2AHTT
SCHEMBL1921505 0.71 KIF11 (0.64) KIF11AKR1C3AKR1C2ALDH1A1

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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