SCHEMBL5010052

SCHEMBL5010052

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
TSHR P16473 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
MAPK1 P28482 1/20 0.68
PHLPP2 Q6ZVD8 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
ALDH1A1 P00352 9/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.47
TLR9 Q9NR96 2/20 0.47
CRHBP P24387 1/20 0.47
ATM Q13315 1/20 0.47
CRHR2 Q13324 1/20 0.47
GRK6 P43250 1/20 0.47
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL160430 0.89 ALDH1A1 (0.57) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL10490273 0.84 ALDH1A1 (0.53) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL11274071 0.83 MAPT (0.51) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL11274067 0.83 MAPT (0.51) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL29740662 0.82 MAPT (0.57) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL18022811 0.82 MAPT (0.50) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL131813 0.82 ALDH1A1 (0.56) MAPTL3MBTL1TSHRCYP3A4MAPK1
SCHEMBL14548754 0.81 ALDH1A1 (0.51) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL6558976 0.81 MAPT (1.00) MAPTL3MBTL1TSHRCYP1A2CYP3A4
SCHEMBL1309519 0.80 MAPT (0.56) MAPTL3MBTL1MAPK1TDP1ALDH1A1

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