SCHEMBL9716361

SCHEMBL9716361

CCCCCc1ccc2cc(CCCOCC(C[S+]([O-])CCOCCOS(C)(=O)=O)Oc3ncccn3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL9716357 0.90
SCHEMBL9716287 0.88 MEN1 (0.41) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9716253 0.87 PLA2G2A (0.31)
SCHEMBL9716309 0.85
Hydrochloric Acid SCHEMBL9716275 0.84 HTT (0.42) MEN1ALDH1A1LMNAMAPK1KMT2A
SCHEMBL9716367 0.82
SCHEMBL9716258 0.81 PLA2G2A (0.31) USP2ALDH1A1LMNAMAPK1
SCHEMBL9716240 0.80 PLA2G2A (0.31) MAPK1
SCHEMBL9716228 0.79 PLA2G2C (0.31)
SCHEMBL9716284 0.78 MEN1 (0.37) MEN1USP2ALDH1A1LMNACYP3A4

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 1 patent. 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