SCHEMBL9716222

SCHEMBL9716222

CCCCCCCCCCCCCCCCCCOCC(C[S+]([O-])CCCOCCCO)Oc1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
LPAR1 Q92633 7/20 0.31
LPAR3 Q9UBY5 7/20 0.31
LPAR2 Q9HBW0 4/20 0.31
LPAR6 P43657 3/20 0.31
LPAR4 Q99677 3/20 0.31
LPAR5 Q9H1C0 3/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL9716359 0.96 HTT (0.35) HTTMEN1THRBKMT2AMAPT
SCHEMBL9716261 0.91 MEN1 (0.40) HTTMEN1THRBKMT2AMAPT
SCHEMBL9716257 0.90 MEN1 (0.43) HTTMEN1THRBKMT2AMAPT
SCHEMBL9716240 0.85 PLA2G2A (0.31) PLA2G2A
SCHEMBL9716258 0.83 PLA2G2A (0.31) USP2PLA2G2APLA2G2C
Hydrochloric Acid SCHEMBL9716339 0.83 PLA2G4A (0.31)
Hydrochloric Acid SCHEMBL9716408 0.83 PRKD3 (0.45) MEN1KMT2A
Hydrochloric Acid SCHEMBL9716322 0.82 PRKD3 (0.44) MEN1KMT2A
SCHEMBL9716340 0.82 MEN1 (0.40) HTTMEN1THRBKMT2AMAPT
Hydrochloric Acid SCHEMBL9716336 0.81

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