SCHEMBL7438865

SCHEMBL7438865

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
ESR2 Q92731 1/20 0.47
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL7437536 0.89 TP53 (0.53) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL4864524 0.88 MEN1 (0.56) MEN1KMT2AHPGDTP53ALDH1A1
SCHEMBL7438698 0.83 CYP1A2 (0.58) MEN1KMT2AHPGDTP53ALDH1A1
SCHEMBL7435530 0.83 CYP1A2 (0.63) TP53CYP1A2CYP2C9CYP2C19
SCHEMBL7437630 0.82 CYP1A2 (0.56) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL7429152 0.81 CYP1A2 (0.60) TP53CYP1A2CYP2C9CYP2C19
SCHEMBL7679388 0.81 CNR2 (0.40) MEN1KMT2AHPGDMAPTHTT
SCHEMBL7437704 0.80 CYP1A2 (0.53) MEN1KMT2ATP53ALDH1A1MAPT
SCHEMBL7685015 0.79 CYP1A2 (0.57) TP53PKMHTTCYP1A2CYP2C9
SCHEMBL7432412 0.79 CYP1A2 (0.57) TP53CYP1A2CYP2C9CYP2C19

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
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US claimed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed