SCHEMBL25894589

SCHEMBL25894589

Cc1cc(N)ccc1N1CC2CC1CN2C1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
NR4A1 P22736 1/20 0.40
PTK2B Q14289 1/20 0.40
KDM4E B2RXH2 4/20 0.37
ALOX15 P16050 2/20 0.37
LMNA P02545 2/20 0.37
RAD52 P43351 2/20 0.36
GFER P55789 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL25890066 0.87 MAPT (0.36) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13657915 0.81 MAPT (0.45) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL30912434 0.81 MAPT (0.45) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL30912529 0.81 MAPT (0.45) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL3413859 0.81 MAPT (0.45) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL14642921 0.74 MAPT (0.44) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL328198 0.72 ALDH1A1 (0.56) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL3413033 0.70 ALDH1A1 (0.49) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL10035939 0.69 MAPT (0.56) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL25889890 0.69 HTR2A (0.36) GAAALOX15SMN1; SMN2HRH3

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed