SCHEMBL27958684

SCHEMBL27958684

C=Cc1ccc(-n2ncnc2C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.33
KCNJ1 P48048 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM1 Q13255 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL27856470 0.79 POLB (0.41) ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL27958683 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL14321389 0.73 TSHR (0.35) ALDH1A1NPSR1MAPK1TDP1
SCHEMBL14321089 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL27958711 0.70 MAPT (0.34) ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL14322095 0.69 HTR2A (0.33)
SCHEMBL27950665 0.69 POLB (0.37) ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL27857905 0.69 NPC1 (0.41) ALDH1A1KDM4E
SCHEMBL20390655 0.67 POLB (0.58) ALDH1A1KDM4E
SCHEMBL92255 0.64 ALDH1A1 (0.69) ALDH1A1KDM4ETDP1TRIM24TRIM33

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-103748089-A Pesticidal compositions and methods relating thereto DOW AGROSCIENCES LLC 2014-04-23 CN disclosed