SCHEMBL375883

SCHEMBL375883

CC(C)(C)[C@](CCBr)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
CTSS P25774 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
AAK1 Q2M2I8 1/20 0.41
SYK P43405 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL9087628 0.89 HTT (0.52) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL2777369 0.89 HTT (0.52) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL3784980 0.88 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL9300241 0.85 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL7410131 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL3257096 0.84 HTT (0.52) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL6500077 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL7410134 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL31236732 0.84 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CTSSNPC1
SCHEMBL6702818 0.83 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CTSSNPC1

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-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed