SCHEMBL2361332

SCHEMBL2361332

CC(C)NC(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1.CN(C)C(=O)CCCCCOc1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.43
TOP1 P11387 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
AVPR1B P47901 4/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
EGFR P00533 2/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39

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
SCHEMBL2324340 0.94 SMN1; SMN2 (0.47) HDAC1TOP1SMN1; SMN2AVPR1BALDH1A1
SCHEMBL2329922 0.91 PDE3B (0.46) HDAC1TOP1PDE3BPDE3AP2RY12
SCHEMBL2330628 0.87 HDAC1 (0.44) HDAC1TOP1SMN1; SMN2AVPR1BALDH1A1
SCHEMBL4589067 0.85 ALDH1A1 (0.44) HDAC1TOP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL7529908 0.85 SMN1; SMN2 (0.45) HDAC1TOP1SMN1; SMN2AVPR1BALDH1A1
SCHEMBL2360007 0.85 SIRT2 (0.41) HDAC1TOP1AVPR1BSIRT2SIRT1
SCHEMBL2324500 0.84 HDAC1 (0.46) HDAC1TOP1PDE3BPDE3AAVPR1B
SCHEMBL2324248 0.84 PDE3B (0.42) HDAC1TOP1PDE3BPDE3AP2RY12
SCHEMBL2326876 0.83 HDAC1 (0.59) HDAC1TOP1HDAC8HDAC6HDAC3
SCHEMBL2324135 0.83 HDAC1 (0.48) HDAC1TOP1PDE3BPDE3AAVPR1B

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-1246808-B1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION BAYER SCHERING PHARMA AG (DE) 2011-08-17 EP disclosed