SCHEMBL6923871

SCHEMBL6923871

Nn1c(C2CCCC2)cc(-c2ccccc2)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.40
GLO1 Q04760 2/20 0.39
HSP90AA1 P07900 1/20 0.38
MAT2A P31153 2/20 0.37
NR1I2 O75469 1/20 0.36
KDM4B O94953 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
DOHH Q9BU89 1/20 0.36
LHCGR P22888 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
IKBKB O14920 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL6920288 0.98 L3MBTL1 (0.53) L3MBTL1ATMGLO1HSP90AA1MAT2A
SCHEMBL6924508 0.94 L3MBTL1 (0.57) L3MBTL1ATMGLO1HSP90AA1NPC1
SCHEMBL6922985 0.87 L3MBTL1 (0.50) L3MBTL1GLO1HSP90AA1
SCHEMBL6923317 0.86 L3MBTL1 (0.42) L3MBTL1ATMGLO1MAT2ANR1I2
SCHEMBL6827416 0.83 KMO (0.40) L3MBTL1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL6827991 0.83 KMO (0.50) L3MBTL1
SCHEMBL6826222 0.80 KCNH2 (0.38) L3MBTL1NR1I2KDM4BCHRM1TBXA2R
SCHEMBL6823842 0.80 PDE4D (0.41) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL6827346 0.78 ATM (0.42) ATMCHRNB2CHRNB4CHRNA3
SCHEMBL6824274 0.76 BACE1 (0.43)

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
EP-1442033-A1 OMEGA-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS Allergan, Inc. (US) 2004-08-04 EP claimed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO claimed
WO-2003040126-A1 φ-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN, INC. (US) 2003-05-15 WO claimed
EP-1442033-A1 OMEGA-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS Allergan, Inc. (US) 2004-08-04 EP disclosed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed
WO-2003040126-A1 φ-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN, INC. (US) 2003-05-15 WO disclosed