SCHEMBL6971327

SCHEMBL6971327

C[C@H](Sc1ncccn1)[C@H]1CC(=O)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL6964149 1.00 KMT2A (0.36) KMT2AALDH1A1TSHRMAPTTDP1
SCHEMBL6964143 1.00 KMT2A (0.36) KMT2AALDH1A1TSHRMAPTTDP1
SCHEMBL7388011 0.76 KMT2A (0.35) KMT2AALDH1A1MAPTTDP1PKM
SCHEMBL6975819 0.73 KMT2A (0.37) KMT2AALDH1A1MAPT
SCHEMBL6975816 0.73 KMT2A (0.37) KMT2AALDH1A1MAPT
SCHEMBL6977778 0.72 NPC1 (0.31) KMT2AALDH1A1
SCHEMBL247623 0.71 MAPT (0.40) KMT2AMAPT
SCHEMBL6970938 0.69 KMT2A (0.42) KMT2AALDH1A1TSHR
SCHEMBL14156180 0.65 LMNA (0.56) KMT2AALDH1A1MAPTTDP1PKM
SCHEMBL6978352 0.63 KMT2A (0.39) KMT2A

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