SCHEMBL6977466

SCHEMBL6977466

O=C1CC(CSc2ncccn2)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.53
DDB1 Q16531 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGB2 P05107 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36
ITGAL P20701 1/20 0.36
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CTSK P43235 1/20 0.35
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL6976609 1.00 CRBN (0.53) CRBNDDB1KMT2AMAPK1ITGB3
SCHEMBL6968272 0.73 CRBN (0.51) CRBNDDB1KMT2AMAPK1ITGB3
SCHEMBL6960972 0.73 CRBN (0.51) CRBNDDB1KMT2AMAPK1ITGB3
SCHEMBL4740732 0.70 CHRNB2 (0.47) CRBNKMT2A
SCHEMBL6969959 0.66
SCHEMBL6969958 0.66
SCHEMBL6970938 0.65 KMT2A (0.42) CRBNKMT2AMAPK1ITGB1ITGA5
SCHEMBL3752404 0.62
SCHEMBL5679479 0.62 HSD17B10 (0.43) KMT2AMAPK1HSD17B10ALDH1A1
SCHEMBL7175387 0.60 CYP1A2 (0.42) CRBNDDB1HSD17B10DAOALDH1A1

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