SCHEMBL3259498

SCHEMBL3259498

COC(=O)c1sc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1O[C@H](C)c1cccc(OCCBr)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.38
PLK3 Q9H4B4 3/20 0.38
IKBKE Q14164 2/20 0.38
CDK2 P24941 1/20 0.38
AMY1A P0DUB6 5/20 0.36
HDAC6 Q9UBN7 1/20 0.33
RHEB Q15382 1/20 0.33

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
SCHEMBL4282487 0.91 PDE10A (0.38) PLK1AMY1AHDAC6
SCHEMBL4286273 0.81 PLK1 (0.39) PLK1PLK3IKBKECDK2AMY1A
SCHEMBL4357514 0.81 CHEK2 (0.42) PLK1PLK3
SCHEMBL3255726 0.79 PLK1 (0.63) PLK1PLK3IKBKECDK2
SCHEMBL4278526 0.79 ACHE (0.41) PLK1
SCHEMBL4280900 0.77 AMY1A (0.42) AMY1AHDAC6
SCHEMBL3259644 0.75 PDE10A (0.38) HDAC6
SCHEMBL4283167 0.74 SCD (0.41)
SCHEMBL13440060 0.74 PLK1 (0.53) PLK1PLK3IKBKECDK2
SCHEMBL3251823 0.74 PLK1 (0.53) PLK1PLK3IKBKECDK2

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
EP-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed