SCHEMBL30968559

SCHEMBL30968559

c1ccc(Oc2ccccc2Nc2ccccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.61
MEN1 O00255 1/20 0.61
GFER P55789 1/20 0.61
KMT2A Q03164 1/20 0.61
TSHR P16473 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
GRM5 P41594 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TGFBR1 P36897 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
ADRA2C P18825 1/20 0.42
MAPK8 P45983 1/20 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
SCHEMBL22470327 1.00 MAPK10 (0.61) MAPK10MEN1GFERKMT2ATSHR
SCHEMBL22470339 0.83 MAPK10 (0.61) MAPK10MEN1GFERKMT2AKDM4E
SCHEMBL30968557 0.83 MAPK10 (0.61) MAPK10MEN1GFERKMT2AKDM4E
SCHEMBL22470360 0.83 TSHR (0.50) TSHRLMNAL3MBTL1ALDH1A1ADRA2C
SCHEMBL7982480 0.79 MAPK10 (0.69) MAPK10MEN1GFERKMT2AKDM4E
SCHEMBL1340371 0.79 NPC1 (0.59) MEN1KMT2ATSHRKDM4ELMNA
SCHEMBL22470348 0.78 RAB9A (0.51) MEN1KMT2ATSHRLMNAL3MBTL1
SCHEMBL22470345 0.78 ATM (0.44) MEN1KMT2ATSHRKDM4ELMNA
SCHEMBL3279571 0.78 MEN1 (1.00) MAPK10MEN1GFERKMT2AGRM5
SCHEMBL24178149 0.76

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