SCHEMBL8666464

SCHEMBL8666464

COC(=O)c1ccc(C(=O)Nc2ccc(Cl)c(COc3cccn4cc(C)nc34)c2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8666299 0.93 BDKRB2 (0.42) BDKRB2KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8666404 0.93 SMN1; SMN2 (0.43) BDKRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL8666461 0.92 PPARG (0.46) BDKRB2KDM4ENPC1ALDH1A1
SCHEMBL8565416 0.83 BDKRB2 (0.58) BDKRB2
SCHEMBL8666921 0.82 BDKRB2 (0.50) BDKRB2
SCHEMBL8563482 0.81 PPARG (0.42)
SCHEMBL8570185 0.80 BDKRB2 (0.43) BDKRB2
SCHEMBL8666936 0.79 LMNA (0.44) BDKRB2ALDH1A1SMN1; SMN2
SCHEMBL8563420 0.79 PPARG (0.46)
SCHEMBL8667851 0.78 MEN1 (0.44) BDKRB2KDM4EALDH1A1SMN1; SMN2

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