SCHEMBL4022010

SCHEMBL4022010

CC(=O)Nc1cccc2c(C)nccc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
EDNRA P25101 1/20 0.53
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
PARP14 Q460N5 1/20 0.47
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
CASP6 P55212 1/20 0.44
CLK1 P49759 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42

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
SCHEMBL4028215 0.89 MEN1 (0.46) KMT2AMEN1EDNRAALDH1A1HPGD
SCHEMBL2359677 0.86 KDM4E (0.56) KMT2AMEN1EDNRAALDH1A1HPGD
SCHEMBL1900214 0.82 RXFP1 (0.66) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL29773631 0.80 METAP1 (0.46) KMT2AMEN1EDNRARXFP1ALDH1A1
SCHEMBL28175303 0.79 MEN1 (0.55) KMT2AMEN1RXFP1ALDH1A1HPGD
SCHEMBL3201877 0.79 TRPV1 (0.51) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL4435631 0.78 NPC1 (0.55) KMT2AMEN1RXFP1HPGDMAPT
SCHEMBL8923243 0.78 ALDH1A1 (0.66) KMT2AMEN1EDNRARXFP1ALDH1A1
SCHEMBL269101 0.78 MEN1 (0.60) KMT2AMEN1EDNRAALDH1A1HPGD
SCHEMBL3962470 0.76 TRPV1 (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E

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-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP claimed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed