SCHEMBL2105015

SCHEMBL2105015

CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(NC(=O)C3CCCCC3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(NC(=O)CC(C)(C)C)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(NC(=O)c3ccncc3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.39
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR2 P41597 3/20 0.36
KIFC1 Q9BW19 1/20 0.35
P2RX3 P56373 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 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
SCHEMBL4440209 0.94 CENPE (0.43) CENPEGSK3AGSK3BLMNAMEN1
SCHEMBL2103263 0.88 CENPE (0.48) CENPELMNACCR2KIFC1P2RX3
SCHEMBL2104958 0.86 CENPE (0.50) CENPEMEN1KMT2AHPGDKIFC1
SCHEMBL3469159 0.85 CENPE (0.51) CENPELMNAMEN1KMT2AHPGD
SCHEMBL2101923 0.85 CENPE (0.51) CENPELMNAMEN1KMT2AHPGD
SCHEMBL2106289 0.78 CENPE (0.53) CENPEMEN1KMT2AHPGDKIFC1
SCHEMBL4561631 0.78 CENPE (0.49) CENPEGSK3AGSK3BLMNAMEN1
SCHEMBL2105954 0.78 CENPE (0.61) CENPEMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL2104926 0.76 CENPE (0.56) CENPELMNAMEN1KMT2AHPGD
SCHEMBL4769873 0.76 SCD (0.45) LMNAMEN1KMT2AHPGDSMN1; SMN2

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
US-8163919-B2 Imidazopyridinyl benzamide mitotic kinesin inhibitors CYTOKINETICS, INCORPORATED (US) 2012-04-24 US disclosed