SCHEMBL393998

SCHEMBL393998

COc1ccc(/C=N/NC(=O)CCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.78
KMT2A Q03164 9/20 0.74
MAPT P10636 9/20 0.74
MEN1 O00255 8/20 0.74
ALDH1A1 P00352 7/20 0.74
KDM4E B2RXH2 2/20 0.74
GFER P55789 1/20 0.74
POLB P06746 5/20 0.65
THRB P10828 1/20 0.65
LMNA P02545 1/20 0.60
GAA P10253 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
AURKA O14965 1/20 0.57
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54

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
SCHEMBL393675 0.88 FAAH (1.00) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL393680 0.86 FAAH (0.83) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL395281 0.86 FAAH (0.83) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL4075701 0.85 SMN1; SMN2 (0.82) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL14417613 0.85 SMN1; SMN2 (0.82) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL4075698 0.85 SMN1; SMN2 (0.82) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL395724 0.80 FAAH (0.76) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL7847028 0.79 MAPT (0.80) KMT2AMAPTMEN1ALDH1A1GFER
SCHEMBL393500 0.79 MAPT (0.81) FAAHKMT2AMAPTMEN1ALDH1A1
SCHEMBL24863352 0.79 FAAH (0.70) FAAHKMT2AMAPTMEN1ALDH1A1

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
US-8101649-B2 N-acylhydrazone derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-01-24 US disclosed