SCHEMBL2641787

SCHEMBL2641787

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
APP P05067 9/20 0.52
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
SCHEMBL2641782 1.00 MAPT (0.55) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2641829 0.81 APP (0.40) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2641845 0.79 APP (0.61) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2373640 0.79 MAPT (0.55) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2641839 0.79 APP (0.61) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2641766 0.79 APP (0.61) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2641773 0.79 APP (0.61) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2373637 0.79 MAPT (0.55) MAPTMEN1KMT2ACASP1HBB
SCHEMBL2100924 0.78 ALDH1A1 (0.46) MAPTSMN1; SMN2ALOX15APPALDH1A1
SCHEMBL31563753 0.78 ALDH1A1 (0.46) MAPTSMN1; SMN2ALOX15APPALDH1A1

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