SCHEMBL3890165

SCHEMBL3890165

c1ccc(CNc2ccc3c(c2)Sc2cc(NCc4ccccc4)ccc2N3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
MAOA P21397 2/20 0.49
MAOB P27338 1/20 0.49
PTPN1 P18031 2/20 0.49
PTPN11 Q06124 1/20 0.49
ALDH1A1 P00352 2/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
HAO1 Q9UJM8 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NTRK1 P04629 1/20 0.43
PTPRZ1 P23471 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42
IP6K1 Q92551 1/20 0.42
DHFR P00374 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
SCHEMBL6482475 0.86 NOX1 (0.51) HTTMAOAMAOBPTPN1PTPN11
SCHEMBL1924100 0.76 HTT (0.78) HTTPTPN1PTPN11ALDH1A1FFAR1
SCHEMBL81579 0.76 SNCA (0.46) HTTMAOAALDH1A1CYP1A2NOX1
SCHEMBL9384006 0.76 HTT (0.45) HTTMAOAMAOBPTPN1PTPN11
SCHEMBL6495200 0.74 HSD17B3 (0.48) HTTMAOAMAOBPTPN1PTPN11
SCHEMBL8968516 0.74 ALDH1A1 (0.44) HTTMAOAMAOBPTPN1PTPN11
SCHEMBL6484772 0.73 NOX1 (0.49) HTTMAOAMAOBALDH1A1CA1
SCHEMBL6484991 0.73 NOX1 (0.63) HTTALDH1A1FFAR1NOX1
SCHEMBL28992250 0.73 NOX1 (0.47) HTTMAOAMAOBCYP1A2NOX1
SCHEMBL12471742 0.72 CA12 (0.44) HTTMAOAALDH1A1CA1CA2

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 11 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-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
US-4857438-A Photochromic system and layers produced therewith BASF AKTIENGESELLSCHAFT (DE) 1989-08-15 US 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