SCHEMBL9289909

SCHEMBL9289909

CC(=O)Nc1cc[c]c2c1CCN(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.38
MYC P01106 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC6 Q9UBN7 5/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC3 O15379 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
UHRF1 Q96T88 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
SLC18A3 Q16572 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6784777 0.75 NPC1 (0.51) NPC1RAB9AALDH1A1SLC18A3MEN1
SCHEMBL6785452 0.74 RXFP1 (0.44) APEX1MYCNPC1RAB9AHDAC6
SCHEMBL8152134 0.74 RXFP1 (0.44) APEX1MYCNPC1RAB9AUHRF1
SCHEMBL6784074 0.73 KDM4E (0.42) APEX1MYCNPC1RAB9AUHRF1
SCHEMBL10967773 0.71 ADRA2A (0.46) NPC1RAB9AALDH1A1POLBKMT2A
SCHEMBL6610930 0.70 NPC1 (0.40) APEX1NPC1RAB9AHDAC1HDAC2
SCHEMBL8807579 0.69 UHRF1 (0.35) APEX1MYCNPC1RAB9AUHRF1
SCHEMBL8807587 0.69 UHRF1 (0.35) APEX1MYCNPC1RAB9AHDAC6
SCHEMBL9535798 0.66 ALDH1A1 (0.38) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL8810234 0.66 POLB (0.34) APEX1MYCHDAC6UHRF1ALDH1A1

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-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP disclosed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed