SCHEMBL4587350

SCHEMBL4587350

NC(=O)c1c(-c2ccccc2-n2cccn2)ccc2c1Cc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.38
HTR2B P41595 2/20 0.38
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
PABPC1 P11940 1/20 0.35
BLM P54132 1/20 0.35
RAB9A P51151 1/20 0.35
PDK1 Q15118 1/20 0.34

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
SCHEMBL3397789 0.79 NPC1 (0.49) HTR7HTR2BDRD2ADRA1ANPC1
SCHEMBL4585382 0.73 NPC1 (0.45) HTR7HTR2BDRD2NPC1MEN1
SCHEMBL30647966 0.72 HTR2B (0.51) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL3544059 0.69 NPC1 (0.49) ADRA1DNPC1MAPK1KDM4EMEN1
SCHEMBL4455728 0.66 HTR2B (0.45) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL38662461 0.66 P2RX7 (0.40) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL27652773 0.64 MAPK1 (0.50) ADRA1ANPC1MAPK1KDM4EMEN1
SCHEMBL4796546 0.64 HTR2B (0.68) HTR7HTR2BDRD2ADRA1DHTR2A
SCHEMBL2884579 0.64 IRAK4 (0.45) NPC1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL30761115 0.64 IRAK4 (0.45) NPC1MAPK1KDM4EMEN1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804786-A4 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2008-01-02 EP claimed
EP-1804786-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2007-07-11 EP claimed
WO-2006039356-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-13 WO claimed