SCHEMBL7456307

SCHEMBL7456307

COC(=O)Cc1cccc(CCC(CO[Si](C)(C)C(C)(C)C)NC(=O)c2c[nH]cn2)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.35
APLNR P35414 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
PDE5A O76074 2/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
SYK P43405 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
SCHEMBL7452027 0.85 PDE5A (0.41) SLC7A5APLNRTLR7PDE5ACTSG
SCHEMBL7452894 0.83 CNR1 (0.35) CTSGCTRB1
SCHEMBL6168436 0.77 SLC7A5 (0.44) SLC7A5TLR7SYK
SCHEMBL7836552 0.75 KDM4E (0.40)
SCHEMBL7846509 0.73 TP53 (0.41)
SCHEMBL7453024 0.72 MMP13 (0.40) PDE5A
SCHEMBL7846771 0.71 ADA (0.51)
SCHEMBL7669799 0.71 ADA (0.52) SLC7A5
SCHEMBL7848120 0.71 ADA (0.35)
SCHEMBL7835522 0.70 PDE5A (0.38) PDE5ACTSGCTRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed