SCHEMBL8102698

SCHEMBL8102698

CCCCC(CC)CNc1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
CA2 P00918 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPY5R Q15761 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL11269996 0.89 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL29922652 0.87 MAPT (0.39) ALDH1A1KDM4ECYP3A4HTTTDP1
SCHEMBL21799996 0.87 MAPT (0.39) ALDH1A1KDM4ECYP3A4HTTTDP1
SCHEMBL28009674 0.83 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL31427597 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL8379148 0.79 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL31294508 0.78 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL3248985 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL27352538 0.77 PLK1 (0.52) ALDH1A1KDM4ETSHRCYP3A4HTT
SCHEMBL21800072 0.76 HDAC3 (0.39) ALDH1A1KDM4EHTTCA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037473-A AS SUNSCREENS IN COSMETIC AND PHARMACEUTICAL PREPARATIONS; FOR ENHANCING PHOTOSTABILITY OF INDUSTRIAL PRODUCTS SUCH AS PAINTS, VARNISHES, PLASTICS, TEXTILES, PACKAGING MATERIALS AND RUBBERS HAARMANN & REIMER GMBH (DE) 2000-03-14 US disclosed
US-5961960-A Use of substituted benzazoles as UV absorbers, new benzazoles and processes for their preparation HAARMANN & REIMER GMBH (DE) 1999-10-05 US disclosed
EP-0843995-A2 Use of substituted benzazoles as UV absorbents, new benzazoles and their preparation HAARMANN & REIMER GMBH (DE) 1998-05-27 EP disclosed
EP-0041140-B1 LIQUID PREPARATIONS OF OXIDATION DYES BASF Aktiengesellschaft (DE) 1984-10-31 EP disclosed
US-4378969-A IRON TETRAAZA(14)ANNULENE CATALYST, BROWN SHADES BASF AKTIENGESELLSCHAFT (DE) 1983-04-05 US disclosed
EP-0041140-A2 Liquid preparations of oxidation dyes BASF Aktiengesellschaft (DE) 1981-12-09 EP disclosed