SCHEMBL13286271

SCHEMBL13286271

CC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CSc3ccccc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
CCR3 P51677 3/20 0.35
RHEB Q15382 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 2/20 0.33
DRD3 P35462 1/20 0.33
FABP4 P15090 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.32
SIGMAR1 Q99720 1/20 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
SCHEMBL771703 0.89 CNR2 (0.41) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL793031 0.85 ALDH1A1 (0.36) NPC1RAB9AKMT2ACCR3ALDH1A1
SCHEMBL13286194 0.83 MEN1 (0.36) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL6368385 0.77 SCN9A (0.42) HDAC1HDAC8HDAC6SCN9ADRD3
SCHEMBL13095926 0.75 PRKCA (0.41) PRKCAMMP12CCR3RHEBSCN9A
SCHEMBL1173428 0.73 ALDH1A1 (0.44) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL5755299 0.73 PRKCA (0.44) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL5300454 0.73 PRKCA (0.40) PRKCAMMP12HDAC1HDAC8HDAC6
SCHEMBL771509 0.73 ALDH1A1 (0.44) HDAC1HDAC8HDAC6NPC1KMT2A
SCHEMBL14263679 0.72 SCN9A (0.36) PRKCAMMP12HDAC1HDAC8HDAC6

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-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed