SCHEMBL3652091

SCHEMBL3652091

NC(CCc1ccccc1)C(=O)N(OC(=O)C(F)(F)F)S(=O)(=O)c1cccc(-c2ccc(CC=NNc3nc4ccccc4s3)o2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.44
AGTR2 P50052 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32

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
SCHEMBL3007074 0.87 BCL2L1 (0.60) BCL2L1AGTR2ALDH1A1KDM4EHDAC3
Trifluoroacetic Acid SCHEMBL3652089 0.86 BCL2L1 (0.52) BCL2L1AGTR2ALDH1A1KDM4EHDAC3
SCHEMBL3654008 0.76 BCL2L1 (0.47) BCL2L1ALDH1A1KDM4EMAPK1GAA
Trifluoroacetic Acid SCHEMBL3007067 0.73 BCL2L1 (0.70) BCL2L1AGTR2HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL3007062 0.73 BCL2L1 (0.70) BCL2L1AGTR2HDAC3HDAC4HDAC1
SCHEMBL3654798 0.72 BCL2L1 (0.46) BCL2L1ALDH1A1KDM4EMAPK1GAA
SCHEMBL13209139 0.70 BCL2L1 (0.75) BCL2L1ALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL3648116 0.70 BCL2L1 (0.49) BCL2L1ALDH1A1KDM4EMAPK1GAA
SCHEMBL3655308 0.69 GAA (0.44) BCL2L1KDM4EMAPK1GAASMN1; SMN2
SCHEMBL3652381 0.68 MAPT (0.44) BCL2L1ALDH1A1KDM4EGAASMN1; 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 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