SCHEMBL9716268

SCHEMBL9716268

CCCCCCCCCCCCCCCCCCOCC(CCSCCOCCO)Oc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
PLA2G4B P0C869 1/20 0.32
LPAR1 Q92633 7/20 0.32
LPAR3 Q9UBY5 7/20 0.32
LPAR2 Q9HBW0 4/20 0.32
LPAR6 P43657 3/20 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
SCHEMBL9716335 0.90 MEN1 (0.40) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9716227 0.90 MEN1 (0.42) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9720214 0.86 MEN1 (0.54) MEN1KMT2AHTTTHRBMAPT
SCHEMBL10385452 0.86 MEN1 (0.54) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9716244 0.81 USP2 (0.38) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9716315 0.81 PRKD3 (0.40) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9716269 0.81 PRKD3 (0.37) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9716340 0.81 MEN1 (0.40) MEN1KMT2AHTTTHRBMAPT
Hydrochloric Acid SCHEMBL9716276 0.77 PRKD3 (0.47) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL9716329 0.77 MEN1 (0.40) MEN1KMT2AHTTTHRBMAPT

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
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed