SCHEMBL7167258

SCHEMBL7167258

N#Cc1ccc2c(ccn2C(=O)OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FFAR4 Q5NUL3 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
MAOB P27338 1/20 0.40
TDP2 O95551 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
P2RX4 Q99571 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX1 P51575 1/20 0.38

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
SCHEMBL7169790 0.83 LMNA (0.44) KDM4EALDH1A1L3MBTL1P2RX4MEN1
SCHEMBL7166112 0.81 TFPI2 (0.44) ALDH1A1L3MBTL1P2RX4MEN1KMT2A
SCHEMBL7166716 0.81 OXER1 (0.52) ALDH1A1P2RX4MEN1KMT2ANPSR1
SCHEMBL7166408 0.81 TFPI2 (0.44) KDM4EALDH1A1L3MBTL1P2RX4MEN1
SCHEMBL7168508 0.81 FABP4 (0.43) ALDH1A1TSHRHTTL3MBTL1P2RX4
SCHEMBL7162130 0.80 L3MBTL1 (0.53) ALDH1A1TSHRL3MBTL1P2RX4MEN1
SCHEMBL7166968 0.80 SRD5A2 (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7171723 0.79 TUBB1 (0.50) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL7166054 0.77 CNR1 (0.47) KDM4EALDH1A1MEN1KMT2A
SCHEMBL7166718 0.77 LMNA (0.45) KDM4EALDH1A1HPGDL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540192-A 2002-11-26 JP claimed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP claimed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 WO claimed
US-6566533-B1 Reacting aza-heterocyclic compounds (indoles and carbazoles) with alkyl- or aryl-halides in the presence of carbon dioxide and alkali carbonate WARNER-LAMBERT COMPANY LLC 2003-05-20 US disclosed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 WO disclosed