SCHEMBL2593232

SCHEMBL2593232

NNC(=O)C1CCCCC1c1noc2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.41
MAPT P10636 9/20 0.41
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 8/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MCL1 Q07820 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 7/20 0.33
RECQL P46063 6/20 0.33
NR4A1 P22736 4/20 0.33
APEX1 P27695 3/20 0.33
ESR2 Q92731 3/20 0.33
ALOX15 P16050 3/20 0.33
L3MBTL1 Q9Y468 3/20 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
SCHEMBL2581371 0.77 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL2581375 0.77 SMN1; SMN2 (0.39) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL17755741 0.76 GAA (0.43) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL2595492 0.76 SMN1; SMN2 (0.36) SMN1; SMN2MAPTRAB9AALDH1A1CYP2C9
SCHEMBL2583719 0.75 SMN1; SMN2 (0.42) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL2590304 0.75 SMN1; SMN2 (0.42) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL2583717 0.75 SMN1; SMN2 (0.42) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL2596227 0.74 SMN1; SMN2 (0.35) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL2596210 0.74 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1CYP2C9ALOX5AP
SCHEMBL2596228 0.74 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1KMT2ACYP2C9ALOX5AP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569319-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-20 EP disclosed
WO-2011141396-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-17 WO disclosed