SCHEMBL29680840

SCHEMBL29680840

COC(=O)Cc1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 2/20 0.54
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GPR119 Q8TDV5 4/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
CYP1A2 P05177 1/20 0.46
WNT3A P56704 1/20 0.45
USP2 O75604 2/20 0.45

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
SCHEMBL29680690 0.93 CYP11B2 (0.50) MEN1KMT2ACYP3A4CYP2C19MAPK1
SCHEMBL6978816 0.89 SMN1; SMN2 (0.61) MEN1KMT2ACYP2C19SMN1; SMN2LMNA
SCHEMBL7366656 0.84 SMN1; SMN2 (0.56) MEN1KMT2ACYP2C19SMN1; SMN2LMNA
SCHEMBL10316359 0.84 GPR119 (0.69) MEN1KMT2ACYP2C19SMN1; SMN2LMNA
SCHEMBL29681068 0.84 SMN1; SMN2 (0.46) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL21946732 0.81 MAPK1 (0.54) MEN1KMT2ACYP3A4CYP2C19MAPK1
SCHEMBL26101978 0.81 MAPK1 (0.54) MEN1KMT2ACYP3A4CYP2C19MAPK1
SCHEMBL1779228 0.81 SMN1; SMN2 (0.57) MEN1KMT2ACYP3A4CYP2C19MAPK1
SCHEMBL485724 0.81 MAPK1 (0.54) MEN1KMT2ACYP3A4CYP2C19MAPK1
SCHEMBL27197478 0.80 GPR119 (0.51) MEN1KMT2ACYP2C19SMN1; SMN2LMNA

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
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 WO disclosed