SCHEMBL28084692

SCHEMBL28084692

C=Cc1ccc(NN2C(=O)C=CC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.34
GAA P10253 3/20 0.34
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOB P27338 1/20 0.32
MAPT P10636 2/20 0.32
CCR6 P51684 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
XPO1 O14980 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL14321431 0.77 CYP1A2 (0.65) ALDH1A1GAATSHRCYP1A2MAOB
SCHEMBL87617 0.73 CYP1A2 (0.59) ALDH1A1TDP1GAACYP1A2MAPT
SCHEMBL18677769 0.73 CYP1A2 (0.59) ALDH1A1TDP1GAACYP1A2MAPT
SCHEMBL10612233 0.72 MGLL (0.50) ALDH1A1GAATSHRCYP1A2MAPT
SCHEMBL28339125 0.71 ALDH1A1 (0.50) ALDH1A1TDP1TSHR
SCHEMBL6865507 0.71 MAPK13 (0.42) ALDH1A1TDP1GAACYP1A2MAPT
SCHEMBL1258213 0.69 MGLL (0.65) ALDH1A1TDP1CCR6NPSR1CACNA1B
SCHEMBL11563830 0.67 ALDH1A1 (0.65) ALDH1A1TDP1GAATSHRCYP1A2
SCHEMBL1697678 0.67 ALDH1A1 (0.65) ALDH1A1TDP1GAATSHRCYP1A2
SCHEMBL20653806 0.65 MGLL (0.69) ALDH1A1MAPTLMNA

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
CN-105917046-A Grafted para-aramid fibers and methods of making the same 纳幕尔杜邦公司 2016-08-31 CN disclosed
CN-105917045-A Grafted para-aramid fiber and method of making 纳幕尔杜邦公司 2016-08-31 CN disclosed