SCHEMBL6568671

SCHEMBL6568671

Cc1cc(Br)c(NC(=O)NC(C)(C)CC(C)(C)C)c(Br)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
HTT P42858 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 2/20 0.34
LCK P06239 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
RAB9A P51151 2/20 0.32
IDH1 O75874 1/20 0.31
MAPK1 P28482 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL4346754 0.71 POLB (0.50) POLBHTTKMT2AMEN1MAPT
SCHEMBL4346954 0.68 KMT2A (0.40) POLBHTTKMT2AMEN1MAPT
SCHEMBL4341979 0.68 POLB (0.54) POLBHTTKMT2AMEN1MAPT
SCHEMBL6565655 0.67 EPHX2 (0.50) HTTKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6566836 0.65 EPHX1 (0.57) POLBHTTKMT2AMEN1MAPT
SCHEMBL4341826 0.65 HSPA5 (0.46) POLBHTTKMT2AMEN1MAPT
SCHEMBL4358325 0.65 POLB (0.60) POLBHTTKMT2AMEN1MAPT
SCHEMBL4355807 0.65 KMT2A (0.54) POLBHTTKMT2AMEN1MAPT
SCHEMBL4354700 0.64 CXCR1 (0.48) POLBHTTKMT2AMEN1MAPT
SCHEMBL6565514 0.64 POLB (0.66) POLBHTTKMT2AMEN1MAPT

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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed