SCHEMBL2641786

SCHEMBL2641786

O=C(O)NCc1ccc(C=Cc2cccc([N+](=O)[O-])n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 3/20 0.39
HPGD P15428 1/20 0.39
PIM1 P11309 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP1 P03956 2/20 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
SCHEMBL2641779 1.00 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2641932 0.80 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641863 0.80 CYP2D6 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641859 0.80 CYP2D6 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641891 0.80 CYP2D6 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641834 0.80 HTT (0.42) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL2641927 0.80 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641898 0.80 CYP2D6 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641795 0.80 ALDH1A1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2641788 0.80 ALDH1A1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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