SCHEMBL5754127

SCHEMBL5754127

CC(Cc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)CC1(c2cccs2)NCC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5756600 0.88 KIF11 (0.41) KIF11SMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL5752111 0.87 KIF11 (0.40) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5755648 0.86 KIF11 (0.41) KIF11SMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL5756160 0.85 KIF11 (0.43) KIF11LMNATDP1ALDH1A1POLB
SCHEMBL5755201 0.85 KIF11 (0.40) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5753980 0.85 KIF11 (0.39) KIF11LMNATDP1ALDH1A1POLB
SCHEMBL5754591 0.85 KIF11 (0.38) KIF11SMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL5754399 0.85 KIF11 (0.40) KIF11SMN1; SMN2LMNATDP1ALDH1A1
SCHEMBL5754211 0.85 KMT2A (0.39) KIF11TDP1ALDH1A1POLBCYP3A4
SCHEMBL5757282 0.85 KIF11 (0.42) KIF11LMNATDP1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed