SCHEMBL11558016

SCHEMBL11558016

CS(=O)(=O)CC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 7/20 0.45
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MCL1 Q07820 1/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL11297197 0.85 MAP2 (0.48) MAP2CA1CA2LMNASMN1; SMN2
SCHEMBL11298462 0.84 MAP2 (0.52) MAP2CA1CA2LMNASMN1; SMN2
SCHEMBL11304764 0.83 MAP2 (0.42) MAP2CA1CA2
SCHEMBL11309419 0.83 MAP2 (0.44) MAP2CA1CA2LMNASMN1; SMN2
SCHEMBL11248598 0.82 MCL1 (0.35) MAP2MCL1
SCHEMBL11558034 0.81 MAP2 (0.46) MAP2CA1CA2LMNASMN1; SMN2
SCHEMBL11255035 0.80 CSF1R (0.34) MAP2MCL1SMN1; SMN2
SCHEMBL11298434 0.80 ALDH1A1 (0.51) MAP2
SCHEMBL11255700 0.80 MCL1 (0.33) MAP2CA1CA2MCL1GSK3B
SCHEMBL11251572 0.80 MCL1 (0.32) MAP2MCL1GSK3B

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-0000972-A2 2-Substituted-3-phenylindoles, their preparation, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-03-07 EP disclosed