SCHEMBL29680690

SCHEMBL29680690

COC(=O)Cc1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 6/20 0.46
CYP2C19 P33261 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
HIF1A Q16665 2/20 0.45
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 3/20 0.44
TSHR P16473 1/20 0.44
HDAC2 Q92769 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL29680840 0.93 MEN1 (0.54) SMN1; SMN2LMNAMAPTCYP3A4CYP2C19
SCHEMBL29681068 0.86 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMAPTCYP3A4CYP2C19
SCHEMBL6978816 0.85 SMN1; SMN2 (0.61) SMN1; SMN2LMNAMAPTCYP2C19MEN1
SCHEMBL485392 0.83 CYP11B2 (0.54) CYP11B2SMN1; SMN2LMNAMAPTCYP3A4
SCHEMBL30769248 0.82 CYP11B2 (0.55) CYP11B2LMNAMAPTCYP3A4CYP2C19
SCHEMBL485607 0.82 HDAC2 (0.58) CYP11B2LMNAMAPTCYP3A4CYP2C19
SCHEMBL484886 0.82 CYP11B2 (0.55) CYP11B2SMN1; SMN2LMNAMAPTCYP3A4
SCHEMBL7366656 0.80 SMN1; SMN2 (0.56) SMN1; SMN2LMNAMAPTCYP2C19MEN1
SCHEMBL10316359 0.80 GPR119 (0.69) SMN1; SMN2LMNAMAPTCYP2C19MEN1
SCHEMBL485220 0.80 CYP11B2 (0.53) CYP11B2LMNAMAPTCYP3A4CYP2C19

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