SCHEMBL4023758

SCHEMBL4023758

CC(=O)Nc1cc(N)c(O)c2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.44
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
NPC1 O15118 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
MAPK10 P53779 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
BRAF P15056 1/20 0.36

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
SCHEMBL4021056 0.81 EP300 (0.51) CHUKEP300KAT2BKAT8NPC1
SCHEMBL25899546 0.77 CHUK (0.43) CHUKKDM4EALDH1A1GLAGAA
SCHEMBL4019913 0.75 CHUK (0.45) CHUKKDM4EALDH1A1MAPK10MAPT
SCHEMBL9426430 0.75 KDM4E (0.50) CHUKNPC1HDAC3HDAC1HDAC2
SCHEMBL14357917 0.75 HDAC1 (0.46) CHUKHDAC3HDAC1HDAC2KDM4E
Hydrochloric Acid SCHEMBL29373586 0.73 HDAC1 (0.45) CHUKHDAC3HDAC1HDAC2KDM4E
Hydrochloric Acid SCHEMBL5749683 0.73 HDAC1 (0.45) CHUKHDAC3HDAC1HDAC2KDM4E
SCHEMBL5657826 0.73 RXFP1 (0.45) CHUKKDM4EALDH1A1MAPK10MAPT
SCHEMBL5657172 0.72 RXFP1 (0.64) CHUKNPC1CA1CA2CA9
SCHEMBL20072220 0.71 ALDH1A1 (0.47) CHUKKDM4EALDH1A1MAPK10MAPT

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