SCHEMBL2641858

SCHEMBL2641858

CN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
CASP1 P29466 2/20 0.47
HBB P68871 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALOX15 P16050 1/20 0.47
RELA Q04206 1/20 0.46
JAK2 O60674 1/20 0.45
MITF O75030 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NTSR1 P30989 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL2641851 1.00 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2641830 0.85 BACE1 (0.40) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1099100 0.82 RAB9A (0.45) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2641844 0.81 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2641848 0.81 MAPT (0.54) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL12749112 0.79 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12185886 0.79 PAX8 (0.39) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL9000484 0.78 MAPT (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9799277 0.77 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL9799284 0.77 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1LMNAMEN1

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