SCHEMBL17220052

SCHEMBL17220052

CC(C)(C)c1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)[C@@H]4CC[C@@H](OC(N)=O)C4)cnc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD11B1 P28845 8/20 0.34
EPHX2 P34913 2/20 0.34
GAA P10253 1/20 0.33
CCR6 P51684 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL17220053 1.00 MEN1 (0.35) MEN1KMT2AHSD11B1EPHX2GAA
SCHEMBL17220206 0.91 L3MBTL1 (0.36) MEN1KMT2AEPHX2POLBALDH1A1
SCHEMBL17220204 0.91 L3MBTL1 (0.36) MEN1KMT2AEPHX2POLBALDH1A1
SCHEMBL17219967 0.80 HSD11B1 (0.41) MEN1KMT2AHSD11B1EPHX2GAA
SCHEMBL4352564 0.79 MEN1 (0.39) MEN1KMT2AHSD11B1GAACCR6
SCHEMBL17220290 0.79 ALDH1A1 (0.40) MEN1KMT2AEPHX2CCR6POLB
SCHEMBL1535994 0.78 MEN1 (0.37) MEN1KMT2AHSD11B1GAACCR6
SCHEMBL17220417 0.77 P2RX7 (0.41) MEN1KMT2AHSD11B1CCR6ALDH1A1
SCHEMBL12035146 0.77 JAK1 (0.36) KMT2AHSD11B1EPHX2ALDH1A1LMNA
SCHEMBL12033012 0.77 JAK1 (0.36) KMT2AHSD11B1EPHX2ALDH1A1LMNA

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
EP-2299821-B1 TRICYCLIC COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed