SCHEMBL11290152

SCHEMBL11290152

NC(=O)c1ccncc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
SIRT3 Q9NTG7 2/20 0.49
KDM4C Q9H3R0 10/20 0.46
KDM4E B2RXH2 5/20 0.46
KDM6B O15054 4/20 0.46
KDM4D Q6B0I6 3/20 0.46
KDM4A O75164 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAPRT Q6XQN6 1/20 0.44
HTT P42858 1/20 0.41
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
SARM1 Q6SZW1 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL28038877 0.84 TDP1 (0.51) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL18421593 0.81 TDP1 (0.52) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL8594489 0.81 TDP1 (0.56) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL25181398 0.80 TDP1 (0.50) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL29923810 0.79 TDP1 (0.49) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL5147906 0.79 TDP1 (0.49) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL1569204 0.78 CDC7 (0.51) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL19873749 0.78 KDM4E (0.48) TDP1KDM4CKDM4EKDM6BKDM4D
SCHEMBL30990566 0.77 TDP1 (0.51) TDP1SIRT3KDM4CKDM4EKDM6B
SCHEMBL31370064 0.77 HSD17B10 (0.46) TDP1SIRT3KDM4CKDM4EKDM6B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0059683-A2 7-Acylamido-3-cephem-4-carboxylic acids, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1982-09-08 EP disclosed