SCHEMBL30968557

SCHEMBL30968557

c1ccc(Nc2ccccc2Oc2ccccn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
GFER P55789 1/20 0.61
KDM4E B2RXH2 3/20 0.49
GRM5 P41594 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX12 P18054 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
EGFR P00533 1/20 0.41
MECP2 P51608 1/20 0.39
KCNN1 Q92952 1/20 0.39

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
SCHEMBL22470339 1.00 MAPK10 (0.61) MAPK10MEN1KMT2AGFERKDM4E
SCHEMBL30968559 0.83 MAPK10 (0.61) MAPK10MEN1KMT2AGFERKDM4E
SCHEMBL22470327 0.83 MAPK10 (0.61) MAPK10MEN1KMT2AGFERKDM4E
SCHEMBL11036007 0.79 KDM4E (0.51) MAPK10MEN1KMT2AGFERKDM4E
SCHEMBL10435381 0.79 KDM4E (0.51) MAPK10MEN1KMT2AGFERKDM4E
SCHEMBL7982480 0.79 MAPK10 (0.69) MAPK10MEN1KMT2AGFERKDM4E
Hydrochloric Acid SCHEMBL9586143 0.78 KDM4E (0.50) MAPK10MEN1KMT2AGFERKDM4E
SCHEMBL3279571 0.78 MEN1 (1.00) MAPK10MEN1KMT2AGFERGRM5
SCHEMBL11138427 0.78 KDM4E (0.66) MEN1KMT2AKDM4ESMN1; SMN2NPC1
SCHEMBL9359315 0.76 KDM4E (0.63) MEN1KMT2AKDM4ESMN1; SMN2NPC1

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-113677665-B Substituted 2-heteroarylaminobenzenes and salts thereof, and their use as herbicides 拜耳公司 2024-07-16 CN claimed
CN-113677665-B Substituted 2-heteroarylaminobenzenes and salts thereof, and their use as herbicides 拜耳公司 2024-07-16 CN disclosed