SCHEMBL3854860

SCHEMBL3854860

COc1cccc(C#N)c1NC(=O)c1ccccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.46
KCNK9 Q9NPC2 3/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 4/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.44
CTSD P07339 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL3820206 0.80 KMT2A (0.54) KCNK3KCNK9KMT2AMAPTTSHR
SCHEMBL22979105 0.78 IMPDH2 (0.48) KMT2AMAPTTSHRMEN1MAPK1
SCHEMBL1620743 0.75 RAB9A (0.60) KCNK3KCNK9KMT2AMEN1SMN1; SMN2
SCHEMBL7028467 0.75 KCNK3 (0.59) KCNK3KCNK9KMT2AMAPTMEN1
SCHEMBL30542576 0.74 KMT2A (0.48) KMT2AMAPTTSHRMEN1SMN1; SMN2
SCHEMBL7160516 0.73 KCNK3 (0.65) KCNK3KCNK9KMT2AMAPTTSHR
SCHEMBL22987946 0.73 TSHR (0.53) KMT2AMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL25375720 0.73 ALDH1A1 (0.52) KMT2AMAPTTSHRMEN1MAPK1
Water SCHEMBL27147733 0.71 IRAK4 (0.61) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL7018503 0.71 MAPK1 (0.51) KCNK3KCNK9KMT2AMAPTMEN1

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-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed