SCHEMBL2747682

SCHEMBL2747682

NC(=O)Nc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.60
ABCC1 P33527 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
KDM4E B2RXH2 2/20 0.58
PDE10A Q9Y233 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP3A4 P08684 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GFER P55789 1/20 0.56
DHODH Q02127 1/20 0.55
SLC2A1 P11166 1/20 0.55
ACHE P22303 1/20 0.54
TACR3 P29371 1/20 0.52

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
SCHEMBL12273379 0.83 DHODH (0.69) KDM4ELMNASMN1; SMN2KMT2AMEN1
SCHEMBL4852085 0.79 HTT (0.73) KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL8440112 0.79 ALOX15 (0.53) KDM4ESMN1; SMN2CYP3A4KMT2AMEN1
SCHEMBL1062154 0.79 PDE10A (0.55) ABCB1ABCC1ABCG2KDM4EPDE10A
SCHEMBL379807 0.78 LMNA (0.76) KDM4EPDE10ALMNASMN1; SMN2CYP3A4
SCHEMBL29586433 0.78 LMNA (0.76) KDM4EPDE10ALMNASMN1; SMN2CYP3A4
SCHEMBL8617753 0.77 ACP1 (0.51) ABCB1ABCC1ABCG2KDM4EPDE10A
SCHEMBL15919345 0.77 ACP1 (0.51) ABCB1ABCC1ABCG2KDM4EPDE10A
SCHEMBL28193696 0.76 SLC2A1 (0.56) ABCB1ABCC1ABCG2KDM4EPDE10A
SCHEMBL10508186 0.75 KDM4E (0.58) KDM4EPDE10ALMNASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178091-B2 Compositions and methods for the treatment of respiratory disorders UNIVERSITY OF WASHINGTON (US) 2012-05-15 US disclosed
US-20090016967-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-01-15 US disclosed
WO-2008144720-A2 INHIBITORS OF IGF-1R SIGNALING FOR THE TREATMENT OF RESPIRATORY DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-11-27 WO disclosed