SCHEMBL9716244

SCHEMBL9716244

CCCCCCCCCCCCCCCCCCOCC(CSCCO)Oc1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
PLA2G4B P0C869 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
LPAR1 Q92633 7/20 0.34
LPAR3 Q9UBY5 7/20 0.34

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
SCHEMBL9716269 0.92 PRKD3 (0.37) USP2PLA2G4BHTTMEN1THRB
SCHEMBL9716315 0.92 PRKD3 (0.40) USP2PLA2G4BHTTMEN1THRB
SCHEMBL9716227 0.92 MEN1 (0.42) USP2PLA2G4BHTTMEN1THRB
SCHEMBL9716335 0.90 MEN1 (0.40) USP2PLA2G4BHTTMEN1THRB
SCHEMBL9716304 0.86 PLA2G4B (0.36) USP2PLA2G4BHTTLPAR1LPAR3
Hydrochloric Acid SCHEMBL9716276 0.83 PRKD3 (0.47) PLA2G4BMEN1KMT2APRKD3PRKCG
SCHEMBL9720214 0.82 MEN1 (0.54) USP2HTTMEN1THRBKMT2A
SCHEMBL10385452 0.82 MEN1 (0.54) USP2HTTMEN1THRBKMT2A
Hydrochloric Acid SCHEMBL9716239 0.82 PRKD3 (0.46) PLA2G4BMEN1KMT2APRKD3PRKCG
SCHEMBL9716268 0.81 MEN1 (0.41) USP2PLA2G4BHTTMEN1THRB

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