SCHEMBL6970938

SCHEMBL6970938

O=C(O)N1C(=O)C[C@@H]1CSc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
CRBN Q96SW2 1/20 0.40
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTSK P43235 1/20 0.36
ATM Q13315 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 0.35

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
SCHEMBL6977968 0.77 RIPK1 (0.43)
SCHEMBL6967927 0.73 ITGB1 (0.37) ITGB1ITGA5
SCHEMBL6967928 0.73 ITGB1 (0.37) ITGB1ITGA5
SCHEMBL7380863 0.70 CRBN (0.37) KMT2ACRBNMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6977600 0.70 CRBN (0.37) KMT2ACRBNMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6964149 0.69 KMT2A (0.36) KMT2ATSHRALDH1A1
SCHEMBL6964143 0.69 KMT2A (0.36) KMT2ATSHRALDH1A1
SCHEMBL6971327 0.69 KMT2A (0.36) KMT2ATSHRALDH1A1
SCHEMBL6977466 0.65 CRBN (0.53) KMT2ACRBNMAPK1ALDH1A1CTSK
SCHEMBL6976609 0.65 CRBN (0.53) KMT2ACRBNMAPK1ALDH1A1CTSK

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 4 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
EP-1023265-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-08-02 EP disclosed
WO-1999018073-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-04-15 WO disclosed