SCHEMBL24409159

SCHEMBL24409159

COC(=O)COc1cc(-c2cccc(Cl)c2)n(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.43
FLT1 P17948 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
DYRK3 O43781 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
FYN P06241 2/20 0.41
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
AVPR1B P47901 2/20 0.40
MAPT P10636 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL24409313 0.88 MAPT (0.49) DYRK3DYRK1ADYRK2DYRK1BSMN1; SMN2
SCHEMBL24425231 0.88 PKM (0.49) VEGFAFLT1EGLN1EGLN3DYRK3
SCHEMBL24409043 0.88 PTGS2 (0.46) EGLN1SMN1; SMN2MAPK1MMP1MMP9
SCHEMBL24409343 0.87 KDM4E (0.45) SMN1; SMN2MAPK1MMP1MMP9MMP8
SCHEMBL24409332 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1MMP1MMP9MMP8
SCHEMBL24408953 0.86 TSHR (0.50) SMN1; SMN2MAPK1FYNMAPTLMNA
SCHEMBL24408952 0.86 FYN (0.43) SMN1; SMN2MAPK1FYNMMP1MMP9
SCHEMBL27114147 0.83 LMNA (0.38) EGLN1DYRK1ASMN1; SMN2MAPK1FYN
SCHEMBL24419432 0.83 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1MMP1MMP9MMP8
SCHEMBL24419716 0.82 SMN1; SMN2 (0.41) EGLN1SMN1; SMN2MAPK1MMP1MMP9

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
WO-2022096448-A1 [(5-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed
WO-2022096450-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed