SCHEMBL11299688

SCHEMBL11299688

N#CC(C#N)=CNc1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.38
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
GRM4 Q14833 1/20 0.34
RAPGEF3 O95398 3/20 0.33
TRPA1 O75762 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.33

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
SCHEMBL22307393 0.75 KMT2A (0.49) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL11219118 0.73 GAA (0.47) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL11545594 0.71 GAA (0.45) GAAKMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL5799020 0.70 GAA (0.61) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL15286525 0.70 EGFR (0.59) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL10618694 0.69 ALDH1A1 (0.35) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL11547314 0.69 ALDH1A1 (0.37) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL11548038 0.68 VCAM1 (0.47) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL22307316 0.67 KMT2A (0.58) GAAKMT2AKDM4EMEN1MAPT
SCHEMBL22307389 0.67 KMT2A (0.58) GAAKMT2AKDM4EMEN1MAPT

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
JP-56036402-A None JP disclosed
JP-S5636402-A AGRICULTURAL AND HORTICULTURAL GERMICIDE SANKYO CO LTD 1981-04-09 JP disclosed