SCHEMBL6978352

SCHEMBL6978352

O=C(O)N1C(=O)CC1[C@H](S)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ITGB1 P05556 5/20 0.37
ITGA4 P13612 2/20 0.37
ITGA5 P08648 4/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
POLB P06746 1/20 0.36
HSD17B2 P37059 1/20 0.35
RIPK1 Q13546 1/20 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
SCHEMBL6960969 0.67 CREBBP (0.37)
SCHEMBL6968269 0.67 CREBBP (0.37)
SCHEMBL27046282 0.66 CACNA2D1 (0.45) KMT2AITGB1ITGA4ITGA5ITGB3
SCHEMBL6964149 0.63 KMT2A (0.36) KMT2A
SCHEMBL8112083 0.60 KMT2A (0.48) KMT2A
SCHEMBL1853020 0.60 GAA (0.47) KMT2ARIPK1
SCHEMBL74366 0.58 SRC (0.56)
SCHEMBL1171114 0.57 GABBR2 (0.53)
Acetic Acid SCHEMBL3416047 0.56 CYP2D6 (0.48) KMT2A
Hydrochloric Acid SCHEMBL8340022 0.56 SRC (0.54)

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