SCHEMBL31255151

SCHEMBL31255151

CC(=NNC(N)=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.68
LMNA P02545 4/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
ALDH1A1 P00352 2/20 0.65
MAPT P10636 3/20 0.60
ALOX12 P18054 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
AGTR1 P30556 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL20080851 0.81 LMNA (0.72) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL22607788 0.81 LMNA (0.77) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL14906955 0.81 LMNA (0.72) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL27177939 0.81 ESRRG (0.78) ESRRGCYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL27177945 0.81 ESRRG (0.78) ESRRGCYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL24278924 0.79 MAPT (0.64) ESRRGLMNAALDH1A1MAPTALOX12
SCHEMBL16194649 0.79 LMNA (0.70) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL17560861 0.79 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16194650 0.79 LMNA (0.70) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL16224332 0.79 MAPT (0.64) ESRRGLMNAALDH1A1MAPTALOX12

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-118993945-A Acetophenone hydrazone compound 上海泰初化工技术有限公司 2024-11-22 CN disclosed