SCHEMBL7540748

SCHEMBL7540748

N#CC(c1ccc(N)cc1)(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KIF11 P52732 1/20 0.42
APP P05067 1/20 0.39
ALDH1A1 P00352 7/20 0.38
CYP3A4 P08684 5/20 0.38
TDP1 Q9NUW8 5/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 2/20 0.35
ACHE P22303 1/20 0.35
CA3 P07451 1/20 0.35
THRB P10828 1/20 0.35
CA6 P23280 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL17817924 0.91 TSHR (0.43) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL5175068 0.82 CYP3A4 (0.42) MAPTKIF11ALDH1A1CYP3A4TDP1
SCHEMBL24993131 0.79 ALDH1A1 (0.45) MAPTMEN1KMT2AKIF11APP
SCHEMBL358617 0.77 MAPT (0.43) MAPTMEN1KMT2AKIF11APP
Acetonitrile SCHEMBL1027924 0.74 RAB9A (0.61) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL20589001 0.74 KIF11 (0.45) MAPTMEN1KMT2AKIF11APP
SCHEMBL10398742 0.72 ESR1 (0.54) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL10689490 0.72 KIF11 (0.39) MAPTMEN1KMT2AKIF11APP
SCHEMBL994398 0.72 MAPT (0.43) MAPTMEN1KMT2AKIF11ALDH1A1
Acetonitrile SCHEMBL28595133 0.72 MAPT (0.61) MAPTMEN1KMT2AAPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6309797-B1 CONTAINING OXIDIZER; EXPOSURE TO ACTINIC RADIATION SPECTRA GROUP LIMITED, INC. 2001-10-30 US claimed
US-6479217-B1 PHOTOSENSITIVE RECORDING; APPLYING ACTINIC RADIATION; PHOTOPOLYMERIZATION SPECTRA GROUP LIMITED, INC. 2002-11-12 US disclosed
US-20020160310-A1 Method for producing selectively colorable printing plates SPECTRA GROUP LIMITED, INC. 2002-10-31 US disclosed
US-6309797-B1 CONTAINING OXIDIZER; EXPOSURE TO ACTINIC RADIATION SPECTRA GROUP LIMITED, INC. 2001-10-30 US disclosed
US-4918317-A MICROCAPSULES CONTAINING RADIOCHROMIC DYES THE MEAD CORPORATION (US) 1990-04-17 US disclosed