SCHEMBL7167349

SCHEMBL7167349

O=C(OCc1ccccc1)n1cncc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
IDO1 P14902 1/20 0.48
KMT2A Q03164 3/20 0.43
P2RX4 Q99571 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL22784007 0.79 ALDH1A1 (0.45) CYP11B1CYP11B2KMT2AP2RX4TDP1
SCHEMBL5966816 0.78 CYP11B1 (0.56) CYP11B1CYP11B2IDO1KMT2AMEN1
SCHEMBL6554133 0.77 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AP2RX4TDP1
SCHEMBL7300346 0.74 SLC7A5 (0.47) KMT2AMEN1
SCHEMBL9880600 0.73 LMNA (0.56) KMT2AP2RX4TDP1LMNAMEN1
SCHEMBL25933278 0.72 HTR2C (0.48) KMT2AP2RX4TDP1MEN1NPSR1
SCHEMBL11463027 0.72 DPP4 (0.40) KMT2AP2RX4TDP1LMNAMEN1
SCHEMBL9880609 0.71 ESR1 (0.47) KMT2AP2RX4TDP1LMNAMEN1
SCHEMBL11611947 0.71 FNTA (0.43) CYP11B1CYP11B2KMT2AP2RX4TDP1
SCHEMBL9880608 0.70 ALDH1A1 (0.45) KMT2AP2RX4TDP1MEN1NPSR1

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