SCHEMBL7441108

SCHEMBL7441108

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
ESR2 Q92731 1/20 0.46
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 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
Hydrochloric Acid SCHEMBL7441097 0.99 MEN1 (0.55) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7447168 0.86 RAB9A (0.60) MEN1KMT2AHPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL7447162 0.86 RAB9A (0.59) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7438698 0.79 CYP1A2 (0.58) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6450720 0.79 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6450715 0.79 MEN1 (0.63) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7438865 0.78 MEN1 (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4871153 0.78 MEN1 (0.62) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7437630 0.78 CYP1A2 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7437536 0.77 TP53 (0.53) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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
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