SCHEMBL7167672

SCHEMBL7167672

Cc1ccc(COC(=O)n2ccc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.50
NOTUM Q6P988 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
RECQL P46063 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL7162130 0.88 L3MBTL1 (0.53) P2RX4NOTUML3MBTL1RAB9ATSHR
SCHEMBL7163776 0.86 P2RX4 (0.52) P2RX4NOTUML3MBTL1RAB9ATSHR
SCHEMBL7168990 0.86 P2RX4 (0.50) P2RX4NOTUML3MBTL1RAB9ATSHR
SCHEMBL7166112 0.84 TFPI2 (0.44) P2RX4L3MBTL1RAB9AMEN1KMT2A
SCHEMBL600415 0.84 NOTUM (0.61) NOTUML3MBTL1RAB9ATSHRKMT2A
SCHEMBL30109103 0.84 NOTUM (0.61) NOTUML3MBTL1RAB9ATSHRKMT2A
Hydrochloric Acid SCHEMBL7492685 0.81 NOTUM (0.57) NOTUML3MBTL1RAB9ATSHRMEN1
Hydrochloric Acid SCHEMBL7492690 0.81 NOTUM (0.57) NOTUML3MBTL1RAB9ATSHRKMT2A
SCHEMBL30877017 0.78 KMT2A (0.50) NOTUMRAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL27312108 0.78 KMT2A (0.50) NOTUMRAB9AKMT2ASMN1; SMN2KDM4E

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