SCHEMBL2641845

SCHEMBL2641845

CN(C)c1ccc(C=Cc2ccc(I)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.61
MAPT P10636 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CASP1 P29466 2/20 0.55
HBB P68871 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALOX15 P16050 1/20 0.55
RAB9A P51151 1/20 0.55
RELA Q04206 1/20 0.53
GAA P10253 1/20 0.47
BRCA1 P38398 1/20 0.47
CASP7 P55210 1/20 0.47
PTGS1 P23219 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ALPG P10696 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2641839 1.00 APP (0.61) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641919 0.81 APP (0.40) APPMAPTMEN1KMT2ACASP1
SCHEMBL2373640 0.79 MAPT (0.55) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641773 0.79 APP (0.61) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641766 0.79 APP (0.61) APPMAPTMEN1KMT2ACASP1
SCHEMBL2373637 0.79 MAPT (0.55) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641782 0.79 MAPT (0.55) APPMAPTMEN1KMT2ACASP1
SCHEMBL2641787 0.79 MAPT (0.55) APPMAPTMEN1KMT2ACASP1
SCHEMBL13467434 0.78 RELA (0.81) APPMAPTMEN1KMT2ACASP1
SCHEMBL1714446 0.78 RELA (0.81) APPMAPTMEN1KMT2ACASP1

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
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed