SCHEMBL25083065

SCHEMBL25083065

COC(=O)c1cc2nn(C)cc2cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
NSD2 O96028 1/20 0.44
GAA P10253 5/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
ABL1 P00519 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ADCY10 Q96PN6 1/20 0.41
CFTR P13569 3/20 0.40
NQO2 P16083 4/20 0.39
F2 P00734 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL24338715 0.82 MAOA (0.44) KDM4EALDH1A1MAPTNSD2ADCY10
SCHEMBL31600539 0.82 KMT2A (0.40) KDM4EALDH1A1MAPTNSD2ATM
SCHEMBL31714324 0.81 JAK2 (0.38) KDM4EALDH1A1MAPTNSD2ADCY10
SCHEMBL22835071 0.80 KDM4E (0.40) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL25195176 0.79 FGFR1 (0.45) KDM4EALDH1A1MAPTNSD2GAA
SCHEMBL25083060 0.79 MAPT (0.49) KDM4EALDH1A1MAPT
SCHEMBL17785196 0.79 IRAK4 (0.47) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL20606472 0.78 IRAK4 (0.58) KDM4EALDH1A1JAK2
SCHEMBL26386846 0.77 IRAK4 (0.46) KDM4EALDH1A1CFTR
SCHEMBL22421382 0.76 IRAK4 (0.51) KDM4EALDH1A1

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-117813006-A Methods for controlling diamide-resistant pests and compounds thereof 先正达农作物保护股份公司 2024-04-02 CN disclosed
WO-2023021020-A1 METHOD FOR CONTROLLING DIAMIDE RESISTANT PESTS & COMPOUNDS THEREFOR SYNGENTA CROP PROTECTION AG (CH) 2023-02-23 WO disclosed