SCHEMBL6975819

SCHEMBL6975819

CC(Sc1ncccn1)[C@H]1CC(=O)N1[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6975816 1.00 KMT2A (0.37) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6977597 0.76 IDH1 (0.30)
SCHEMBL14456031 0.75 PIK3CD (0.32)
SCHEMBL765766 0.75 PIK3CD (0.32)
SCHEMBL6964149 0.73 KMT2A (0.36) KMT2AALDH1A1MAPT
SCHEMBL6971327 0.73 KMT2A (0.36) KMT2AALDH1A1MAPT
SCHEMBL6964143 0.73 KMT2A (0.36) KMT2AALDH1A1MAPT
SCHEMBL6977046 0.72 IDH1 (0.32)
SCHEMBL6977048 0.72 IDH1 (0.32)
SCHEMBL6977600 0.72 CRBN (0.37) KMT2AALDH1A1SMN1; SMN2

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
EP-1023265-B1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM CA LTD (CA) 2003-01-15 EP disclosed
US-6211170-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-04-03 US disclosed