SCHEMBL28463602

SCHEMBL28463602

CSc1ccccc1NCc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 8/20 0.51
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 5/20 0.49
HSD17B10 Q99714 3/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 5/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47

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
SCHEMBL18761547 0.83 MAPT (0.70) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL14849704 0.78 ADRA1D (0.48) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL29151024 0.76 MAPT (0.53) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL688010 0.76 MAPT (0.53) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL28463822 0.76 KDM4E (0.59) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL19664004 0.74 ALDH1A1 (0.53) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL11149004 0.72 ADRA1D (0.49) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL21032591 0.71 ADRA1D (0.47) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL11080258 0.71 MAPT (0.52) LMNAMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL11154523 0.71 ADRA1D (0.49) LMNAMAPTALDH1A1KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102430-B Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2025-03-14 CN disclosed
CN-116102430-A Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2023-05-12 CN disclosed
CN-111807971-B Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2023-03-24 CN disclosed
CN-111807971-A Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2020-10-23 CN disclosed