SCHEMBL5009563

SCHEMBL5009563

CCc1cc(C(c2ccc(OC)cc2)c2cc(CC)c(N)c(CC)c2)cc(CC)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
AOC3 Q16853 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
AKR1C3 P42330 3/20 0.38

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
SCHEMBL28252384 0.79 HTT (0.40) CYP2C19GAAALDH1A1HTT
SCHEMBL5011788 0.79 HTT (0.40) CYP2C19GAAALDH1A1HTT
SCHEMBL13523901 0.77 SLC2A1 (0.50) SLC2A1CYP1A2CYP2D6CYP2C19CYP19A1
SCHEMBL10522397 0.76 POLB (0.47) CYP1A2CYP19A1TDP1MAPK1KDM4E
SCHEMBL16859725 0.75 SLC2A1 (0.71) SLC2A1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL41022 0.75 SLC2A1 (0.71) SLC2A1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL28069209 0.75 LTA4H (0.52) CYP2D6GAAMAPTALDH1A1HTT
SCHEMBL13523894 0.74 TDP1 (0.73) SLC2A1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL22051842 0.73 ALDH1A1 (0.41) TDP1MAPTALDH1A1CYP3A4HTT
SCHEMBL30771980 0.71 ALDH1A1 (0.39) CYP19A1CYP11B1CYP11B2AOC3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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