SCHEMBL3656110

SCHEMBL3656110

O=C(O)c1nc(-c2ccc3c(c2)C(=NNc2nc4ccccc4s2)CCC3)ccc1OCCCOc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 20/20 0.66
BCL2 P10415 3/20 0.63
BCL2L2 Q92843 2/20 0.63

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
SCHEMBL3656106 1.00 BCL2L1 (0.66) BCL2L1BCL2BCL2L2
SCHEMBL13209188 0.93 BCL2L1 (0.66) BCL2L1BCL2BCL2L2
SCHEMBL3007232 0.88 BCL2L1 (0.69) BCL2L1BCL2BCL2L2
SCHEMBL3007236 0.88 BCL2L1 (0.69) BCL2L1BCL2BCL2L2
SCHEMBL3002991 0.88 BCL2L1 (0.71) BCL2L1BCL2BCL2L2
SCHEMBL3002993 0.88 BCL2L1 (0.71) BCL2L1BCL2BCL2L2
SCHEMBL3010491 0.84 BCL2L1 (0.75) BCL2L1BCL2BCL2L2
SCHEMBL3010487 0.84 BCL2L1 (0.75) BCL2L1BCL2BCL2L2
SCHEMBL20992978 0.84 BCL2L1 (0.72) BCL2L1BCL2BCL2L2
SCHEMBL19503572 0.84 BCL2L1 (0.74) BCL2L1BCL2BCL2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 WO disclosed