SCHEMBL29098745

SCHEMBL29098745

C1=CSc2c(ccc3ncccc23)C=C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP3A4 P08684 1/20 0.40
NCOA1 Q15788 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ERN1 O75460 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL3834762 0.76 MAPT (0.46) MAPTKDM4ELMNAHTTMEN1
SCHEMBL8122719 0.71 MAPT (0.47) MAPTKDM4ELMNAHTTMEN1
Hydrochloric Acid SCHEMBL10396866 0.70 MAPT (0.46) MAPTKDM4ELMNAHTTMEN1
SCHEMBL8192297 0.70 MAPT (0.46) MAPTKDM4ELMNAHTTMEN1
SCHEMBL10339659 0.68 MAPT (0.43) MAPTKDM4ELMNAHTTMEN1
SCHEMBL17629238 0.68 MAPT (0.47) MAPTKDM4ELMNAHTTMEN1
SCHEMBL3293742 0.68 MAPT (0.47) MAPTKDM4ELMNAHTTMEN1
SCHEMBL217044 0.67 MAPT (1.00) MAPTKDM4ELMNAHTTMEN1
SCHEMBL6995462 0.67 MAPT (0.46) MAPTKDM4ELMNAHTTMEN1
SCHEMBL7730427 0.66 MAPT (0.48) MAPTKDM4ELMNAHTTMEN1

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
CN-116554206-B Synthetic taxol resistant cell strain H460TaxRMethods of inhibiting 北京化工大学 2025-03-25 CN disclosed
CN-116554206-A Synthetic taxol resistant cell strain H460 TaxR Methods of inhibiting 北京化工大学 2023-08-08 CN disclosed