SCHEMBL17219967

SCHEMBL17219967

CC(C)(C)c1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)C4C5CC6CC(C5)CC4C6)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
CCR6 P51684 1/20 0.36
P2RX7 Q99572 1/20 0.36
EPHX2 P34913 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17220417 0.85 P2RX7 (0.41) HSD11B1MEN1KMT2ACCR6P2RX7
SCHEMBL4352564 0.84 MEN1 (0.39) HSD11B1MEN1KMT2APOLBCCR6
SCHEMBL1535994 0.81 MEN1 (0.37) HSD11B1MEN1KMT2APOLBCCR6
SCHEMBL17220053 0.80 MEN1 (0.35) HSD11B1MEN1KMT2APOLBCCR6
SCHEMBL17220052 0.80 MEN1 (0.35) HSD11B1MEN1KMT2APOLBCCR6
SCHEMBL1536798 0.77 ALDH1A1 (0.40) HSD11B1MEN1KMT2APOLBCCR6
SCHEMBL17220562 0.74 L3MBTL1 (0.40) MEN1KMT2APOLBCCR6EPHX2
SCHEMBL17220565 0.74 L3MBTL1 (0.40) MEN1KMT2APOLBCCR6EPHX2
SCHEMBL1934124 0.74 L3MBTL1 (0.47) MEN1KMT2APOLBTDP1LMNA
SCHEMBL18855429 0.73 L3MBTL1 (0.46) MEN1KMT2APOLBTDP1LMNA

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