SCHEMBL6960972

SCHEMBL6960972

O=C1CC(CSc2ccccc2)N1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.51
CREBBP Q92793 3/20 0.44
BRD4 O60885 2/20 0.44
ITGB3 P05106 1/20 0.41
ITGB2 P05107 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGAL P20701 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
FFAR1 O14842 1/20 0.38
DDB1 Q16531 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6968272 1.00 CRBN (0.51) CRBNCREBBPBRD4ITGB3ITGB2
SCHEMBL6740222 0.75 CRBN (0.56) CRBNALDH1A1MAPK1FFAR1NPC1
SCHEMBL6977466 0.73 CRBN (0.53) CRBNCREBBPBRD4ITGB3ITGB2
SCHEMBL6976609 0.73 CRBN (0.53) CRBNCREBBPBRD4ITGB3ITGB2
SCHEMBL8428351 0.73 ITGB1 (0.53) CRBNCREBBPBRD4ITGB3ITGB2
SCHEMBL8428350 0.73 ITGB1 (0.53) CRBNCREBBPBRD4ITGB3ITGB2
SCHEMBL8522217 0.71 CRBN (0.47) CRBNCREBBPBRD4ALDH1A1DDB1
SCHEMBL11036165 0.71 CRBN (0.47) CRBNCREBBPBRD4ALDH1A1DDB1
SCHEMBL8439360 0.71 CRBN (0.47) CRBNCREBBPBRD4ALDH1A1DDB1
SCHEMBL7385157 0.71 HDAC8 (0.47) CRBNCREBBPBRD4ITGB3ITGB2

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