SCHEMBL27770555

SCHEMBL27770555

[CH2]c1ccc(C(=O)c2ccccc2N(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 3/20 0.67
GAA P10253 3/20 0.67
TP53 P04637 2/20 0.67
TSHR P16473 1/20 0.67
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CNR2 P34972 2/20 0.48
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
AKR1C3 P42330 3/20 0.42

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
SCHEMBL29414304 0.91 MAPT (0.80) MAPTSMN1; SMN2ALDH1A1GAATP53
SCHEMBL338616 0.91 MAPT (0.80) MAPTSMN1; SMN2ALDH1A1GAATP53
SCHEMBL501813 0.85 MAPT (0.77) MAPTSMN1; SMN2ALDH1A1GAATP53
SCHEMBL29384309 0.85 MAPT (0.77) MAPTSMN1; SMN2ALDH1A1GAATP53
SCHEMBL30190508 0.84 MAPT (0.69) MAPTSMN1; SMN2ALDH1A1GAATP53
SCHEMBL8005673 0.84 MAPT (0.69) MAPTSMN1; SMN2ALDH1A1GAATP53
Benzophenone SCHEMBL27403393 0.84 MAPT (0.74) MAPTSMN1; SMN2ALDH1A1GAATP53
SCHEMBL28351687 0.82 MAPT (0.78) MAPTSMN1; SMN2ALDH1A1GAATP53
Urea SCHEMBL28117653 0.81 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1GAATP53
SCHEMBL1227388 0.81 MAPT (1.00) MAPTSMN1; SMN2ALDH1A1GAATP53

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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed