SCHEMBL28636772

SCHEMBL28636772

Cc1ccc(N(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HSD11B1 P28845 8/20 0.47
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.45
EPHX2 P34913 1/20 0.44
P2RX7 Q99572 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3455674 0.85 HSD11B1 (0.49) MEN1KMT2AHSD11B1CYP3A4P2RX7
SCHEMBL3327883 0.77 HSD11B1 (0.65) MEN1KMT2AHSD11B1CYP3A4LMNA
SCHEMBL30937015 0.77 ALDH1A1 (0.41) MEN1KMT2ARAB9ACYP3A4LMNA
SCHEMBL9001884 0.76 MEN1 (0.48) MEN1KMT2AHSD11B1CYP3A4EPHX2
SCHEMBL30937288 0.73 MEN1 (0.36) MEN1KMT2ARAB9ACYP3A4LMNA
SCHEMBL539067 0.73 RAB9A (0.57) MEN1KMT2ARAB9AP2RX7LMNA
SCHEMBL11559245 0.72 HSD11B1 (0.48) MEN1KMT2AHSD11B1CYP3A4LMNA
SCHEMBL3455118 0.71 HSD11B1 (0.67) MEN1KMT2AHSD11B1CYP3A4EPHX2
SCHEMBL25349256 0.71 CA12 (0.47) MEN1KMT2AHSD11B1CYP3A4LMNA
SCHEMBL14859407 0.71 HSD11B1 (0.43) MEN1KMT2AHSD11B1RAB9ACYP3A4

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
CN-109748801-B Method for selective catalytic reduction of amide by nano porous metal 大连理工大学 2021-08-20 CN disclosed