SCHEMBL7163776

SCHEMBL7163776

COc1ccc(COC(=O)n2ccc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.52
NOTUM Q6P988 1/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP1 P09874 1/20 0.46
SMPD1 P17405 1/20 0.44
ATM Q13315 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GSK3B P49841 1/20 0.43
MMP9 P14780 2/20 0.42

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
SCHEMBL7167672 0.86 P2RX4 (0.50) P2RX4NOTUMKMT2AALDH1A1MEN1
SCHEMBL30877017 0.86 KMT2A (0.50) NOTUMKMT2AALDH1A1RAB9ANPC1
SCHEMBL27312108 0.86 KMT2A (0.50) NOTUMKMT2AALDH1A1RAB9ANPC1
SCHEMBL7162130 0.86 L3MBTL1 (0.53) P2RX4NOTUMKMT2AALDH1A1MEN1
SCHEMBL7171723 0.85 TUBB1 (0.50) P2RX4KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL7168990 0.84 P2RX4 (0.50) P2RX4NOTUMKMT2AALDH1A1MEN1
SCHEMBL600415 0.78 NOTUM (0.61) NOTUMKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL30109103 0.78 NOTUM (0.61) NOTUMKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL27312100 0.78 IDO1 (0.56) NOTUMKMT2AALDH1A1MEN1RAB9A
SCHEMBL9880603 0.77 KMT2A (0.63) P2RX4KMT2AALDH1A1MEN1RAB9A

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