SCHEMBL3894772

SCHEMBL3894772

CCN(CC)c1ccc(C(c2ccc(NCCCC#N)cc2)c2ccc(NCCCC#N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
CNR2 P34972 7/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
GRK6 P43250 1/20 0.38
GRIA2 P42262 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36

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
SCHEMBL3204518 0.88 GAA (0.39) GAACNR2ALDH1A1TSHRMAPT
SCHEMBL6340962 0.79 CNR2 (0.49) GAACNR2ALDH1A1TSHRMAPT
SCHEMBL5011845 0.78 CNR2 (0.49) CNR2ALDH1A1TSHRMAPTMAPK1
SCHEMBL3895327 0.77 GRK6 (0.41) GAACNR2ALDH1A1TSHRMAPT
SCHEMBL1844181 0.76 GAA (0.49) GAAALDH1A1MAPTHTTKDM4E
SCHEMBL3894773 0.75 ALDH1A1 (0.41) CNR2ALDH1A1TSHRMAPTKDM4E
SCHEMBL131813 0.74 ALDH1A1 (0.56) GAACNR2ALDH1A1TSHRMAPT
SCHEMBL5485945 0.74 GAA (0.38) GAACNR2ALDH1A1HTT
SCHEMBL22415842 0.74 ALDH1A1 (0.49) GAACNR2ALDH1A1TSHRMAPT
SCHEMBL5665672 0.72 CYP19A1 (0.47) GAACNR2ALDH1A1TSHRMAPT

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 10 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
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed
EP-1614541-A2 Method of making a lithographic printing plate. Agfa-Gevaert (BE) 2006-01-11 EP disclosed
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US 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