SCHEMBL8668952

SCHEMBL8668952

Cc1cn2cccc(OCc3c(Cl)ccc(NC(=O)C(C)N4C(=O)c5ccccc5C4=O)c3Cl)c2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.42
BDKRB2 P30411 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8666936 0.85 LMNA (0.44) POLBALDH1A1MAPTBDKRB2LMNA
SCHEMBL8565508 0.84 BDKRB2 (0.56) BDKRB2
SCHEMBL8667851 0.84 MEN1 (0.44) POLBALDH1A1BDKRB2KMT2AKDM4E
SCHEMBL8666921 0.82 BDKRB2 (0.50) BDKRB2
SCHEMBL8367312 0.82 BDKRB2 (0.52) POLBBDKRB2
SCHEMBL8666299 0.81 BDKRB2 (0.42) POLBMAPTBDKRB2KMT2AKDM4E
SCHEMBL8666404 0.79 SMN1; SMN2 (0.43) ALDH1A1MAPTBDKRB2KMT2AKDM4E
SCHEMBL8563482 0.78 PPARG (0.42)
SCHEMBL8666464 0.78 BDKRB2 (0.40) ALDH1A1BDKRB2KDM4ESMN1; SMN2
SCHEMBL8666461 0.77 PPARG (0.46) ALDH1A1MAPTBDKRB2LMNAKMT2A

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
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed