SCHEMBL3894735

SCHEMBL3894735

CN(C)c1ccc(CCc2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
AKR1B1 P15121 1/20 0.47
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
ADRA2A P08913 1/20 0.46
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
NQO2 P16083 1/20 0.43
CALM1 P0DP23 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL11571352 0.85 MAPK1 (0.53) CYP2D6CYP1A2CYP2C19NR1I2LMNA
SCHEMBL10425095 0.83 AKR1B1 (0.43) CYP2D6CYP1A2CYP2C19AKR1B1SIGMAR1
SCHEMBL1826164 0.80 CYP1A2 (0.52) CYP2D6CYP1A2CYP2C19AKR1B1KCNH2
SCHEMBL3047898 0.78 CYP1A2 (0.62) CYP2D6CYP1A2CYP2C19AKR1B1NQO2
SCHEMBL5699549 0.77 AKR1B1 (0.57) CYP1A2CYP2C19AKR1B1TDP1CYP2C9
SCHEMBL10536871 0.77 MAOB (0.55) CYP2D6CYP1A2CYP2C19AKR1B1CYP2C9
SCHEMBL7069796 0.77 AKR1B1 (0.47) CYP2D6CYP1A2CYP2C19AKR1B1NQO2
SCHEMBL3951751 0.77 KMT2A (0.51) CYP2D6CYP1A2CYP2C19AKR1B1ALDH1A1
SCHEMBL27589743 0.77 MTNR1A (0.48) CYP2D6CYP1A2CYP2C19AKR1B1SIGMAR1
SCHEMBL8148735 0.77 AKR1B1 (0.65) AKR1B1LMNAHTR2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765592-B1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2009-01-28 EP disclosed
US-20080311524-A1 Method For Making Negative-Working Heat-Sensitive Lithographic Printing Plate Precursor AGFA GRAPHICS N.V. (BE) 2008-12-18 US disclosed
EP-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed
EP-1614541-A2 Method of making a lithographic printing plate. Agfa-Gevaert (BE) 2006-01-11 EP disclosed
EP-0239868-B1 PHOTOCHROMIC SYSTEM, LAYER PREPARED THEREOF AND ITS USE BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed
EP-0239868-A1 Photochromic system, layer prepared thereof and its use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed
US-4251619-A Process for forming photo-polymeric image KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-02-17 US disclosed
US-4139390-A Presensitized printing plate having a print-out image EASTMAN KODAK COMPANY (US) 1979-02-13 US disclosed