SCHEMBL7168508

SCHEMBL7168508

O=C(OCc1ccccc1)n1ccc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.43
P2RX4 Q99571 2/20 0.41
PTGER1 P34995 1/20 0.41
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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 0.86 LMNA (0.44) P2RX4KMT2ANPSR1MEN1P2RX1
SCHEMBL7166716 0.84 OXER1 (0.52) P2RX4PTGER1KMT2ANPSR1MEN1
SCHEMBL7166408 0.84 TFPI2 (0.44) P2RX4KMT2ANPSR1MEN1P2RX1
SCHEMBL7166112 0.84 TFPI2 (0.44) FABP4P2RX4KMT2ANPSR1MEN1
SCHEMBL7162130 0.83 L3MBTL1 (0.53) P2RX4KMT2ANPSR1MEN1P2RX1
SCHEMBL7166968 0.83 SRD5A2 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL7171723 0.82 TUBB1 (0.50) P2RX4KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL16792773 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTR2CLMNA
SCHEMBL7167258 0.81 KDM4E (0.45) P2RX4KMT2ANPSR1MEN1P2RX1
SCHEMBL7166054 0.80 CNR1 (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A

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 7 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
CN-115776891-A STAT degradants and uses thereof 凯麦拉医疗公司 2023-03-10 CN disclosed
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