SCHEMBL8032029

SCHEMBL8032029

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CC2CCCCC2)c2ccccc2OCC(=O)N(C)c2cccc(C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 5/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.34
HTR2A P28223 2/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
CCR3 P51677 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL8030427 0.94 MEN1 (0.37) BDKRB2NPC1MEN1KMT2AGAA
SCHEMBL8036229 0.93 EPHX2 (0.41) BDKRB2NPC1MEN1KMT2AGAA
SCHEMBL8020602 0.91 KMT2A (0.42) BDKRB2MEN1KMT2AGAAHTR2A
SCHEMBL8033770 0.90 MEN1 (0.35) BDKRB2MEN1KMT2AGAAHTR2A
SCHEMBL8033886 0.90 KMT2A (0.35) BDKRB2MEN1KMT2AGAAHTR2A
SCHEMBL8036711 0.89 CASR (0.34) BDKRB2NPC1HTR2ACCR3SMN1; SMN2
SCHEMBL8029560 0.89 MEN1 (0.36) BDKRB2NPC1MEN1KMT2AGAA
SCHEMBL8020796 0.89 KMT2A (0.41) MEN1KMT2AGAAHTR2ACCR3
SCHEMBL8036083 0.89 KMT2A (0.41) MEN1KMT2AGAAHTR2ACCR3
SCHEMBL8031951 0.88 HTR2A (0.34) BDKRB2MEN1KMT2ARAB9AHTR2A

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed