SCHEMBL23447607

SCHEMBL23447607

COC(=O)CCc1nc(-c2ccc(OC)cc2)n(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 8/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
LMNA P02545 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 3/20 0.42
AOC3 Q16853 2/20 0.42
GRM5 P41594 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
MDM2 Q00987 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL25972585 0.87 KDM4E (0.53) MAPTGAAALDH1A1CYP11B1CYP11B2
SCHEMBL24409750 0.86 LMNA (0.43) MAPTALDH1A1MEN1KMT2ACYP11B1
SCHEMBL25972772 0.85 ALDH1A1 (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL24409746 0.81 MAPT (0.39) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL24409792 0.79 MAPK1 (0.43) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL24409990 0.77 KDM4E (0.40) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL24407475 0.77 MAPK1 (0.47) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL24409991 0.76 CYP11B1 (0.38) MAPTALDH1A1CYP11B1CYP11B2LMNA
SCHEMBL24409721 0.75 L3MBTL1 (0.46) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL24409742 0.74 LMNA (0.45) MAPTGAAALDH1A1LMNAHPGD

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
WO-2021105101-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed