SCHEMBL6235084

SCHEMBL6235084

NC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.67
DHODH Q02127 1/20 0.57
KDM1A O60341 3/20 0.51
MAOB P27338 3/20 0.51
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
KCNE1 P15382 2/20 0.50
KCNQ1 P51787 2/20 0.50
MAOA P21397 2/20 0.50
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
FYN P06241 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
KMO O15229 2/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47

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
SCHEMBL6233041 0.87 FYN (0.62) KIF11DHODHKDM1AMAOBKCNQ3
SCHEMBL6235301 0.85 DHODH (0.58) KIF11DHODHKDM1AMAOBKCNQ3
SCHEMBL6257855 0.85 DHODH (0.58) KIF11DHODHKDM1AMAOBKCNQ3
SCHEMBL6235785 0.84 TP53 (0.62) KIF11DHODHKDM1AMAOBKCNQ3
SCHEMBL6235521 0.84 DHODH (0.57) KIF11DHODHKCNQ3KCNQ2KCNE1
SCHEMBL6234378 0.80 HPGDS (0.68) KIF11DHODHKDM1AMAOBMAOA
SCHEMBL6243512 0.79 DHODH (0.54) KIF11DHODHKDM1AMAOBMAOA
SCHEMBL27851554 0.79 PTPN1 (0.63) MAPT
SCHEMBL27702482 0.77 KMO (0.53) DHODHKDM1AMAOBMAOAPIK3CD
SCHEMBL6236148 0.76 KDM1A (0.58) DHODHKDM1AMAOBMAOAKMO

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed