SCHEMBL3399983

SCHEMBL3399983

Oc1cc2ccccc2cc1C1=NCCN1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 14/20 0.66
KDM4E B2RXH2 4/20 0.55
CYP1A2 P05177 3/20 0.55
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 2/20 0.50
ADRA2A P08913 2/20 0.50
HPGD P15428 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL1882130 0.80 NISCH (0.62) NISCHADRA2AADRA2BADRA2C
SCHEMBL9579892 0.77 NISCH (0.81) NISCH
SCHEMBL8196215 0.76 NISCH (0.77) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL11164502 0.75 NISCH (0.67) NISCHLMNA
Benazoline SCHEMBL29349712 0.74 NISCH (1.00) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL9575177 0.74 NISCH (1.00) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
Benazoline SCHEMBL9575180 0.74 NISCH (1.00) NISCHKDM4ECYP1A2ALDH1A1CYP2D6
SCHEMBL16863098 0.74 NISCH (0.76) NISCH
Hydrochloric Acid SCHEMBL8207897 0.73 ADRA2A (0.47) NISCHADRA2AADRA2BADRA2CLMNA
SCHEMBL9246331 0.73 NISCH (0.54) NISCHKDM4ECYP1A2ALDH1A1CYP2D6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO claimed
EP-1511799-B2 FLAT FILM CONDUCTORS COMPRISING THERMOPLASTIC POLYURETHANE BASF SE (DE) 2009-08-19 EP claimed
EP-1511799-B1 FLAT FILM CONDUCTORS COMPRISING THERMOPLASTIC POLYURETHANE BASF AG (DE) 2005-09-28 EP claimed
US-20050187320-A1 Flat film conductors comprising thermoplastic polyurethane BASF AKTIENGESELLSCHAFT (DE) 2005-08-25 US claimed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
EP-1511799-B2 FLAT FILM CONDUCTORS COMPRISING THERMOPLASTIC POLYURETHANE BASF SE (DE) 2009-08-19 EP disclosed
US-20070060731-A1 Method for the production of prepolymers containing isocyanate groups BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-7147506-B2 Flat film conductors comprising thermoplastic polyurethane BASF AKTIENGESELLSCHAFT (DE) 2006-12-12 US disclosed
EP-1685174-A1 METHOD FOR THE PRODUCTION OF PREPOLYMERS CONTAINING ISOCYANATE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-08-02 EP disclosed
EP-1645578-A1 Backing adhesive for the backing of polymers on metal BASF AKTIENGESELLSCHAFT (DE) 2006-04-12 EP disclosed
EP-1511799-B1 FLAT FILM CONDUCTORS COMPRISING THERMOPLASTIC POLYURETHANE BASF AG (DE) 2005-09-28 EP disclosed
US-20050187320-A1 Flat film conductors comprising thermoplastic polyurethane BASF AKTIENGESELLSCHAFT (DE) 2005-08-25 US disclosed
WO-2005042604-A1 METHOD FOR THE PRODUCTION OF PREPOLYMERS CONTAINING ISOCYANATE GROUPS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
EP-1511799-A2 FLAT FILM CONDUCTORS COMPRISING THERMOPLASTIC POLYURETHANE BASF AKTIENGESELLSCHAFT (DE) 2005-03-09 EP disclosed
WO-2004093098-A1 MATERIALS CONTAINING THERMOPLASTIC BASF AKTIENGESELLSCHAFT (DE) 2004-10-28 WO disclosed
WO-2003091322-A2 FLAT FILM CONDUCTORS COMPRISING THERMOPLASTIC POLYURETHANE BASF AKTIENGESELLSCHAFT (DE) 2003-11-06 WO disclosed
WO-2002051415-A2 USE OF SEQUESTRANTS FOR TREATING PRION DISEASES XILINAS MICHEL (CY) 2002-07-04 WO disclosed