SCHEMBL7868908

SCHEMBL7868908

CCN(CC)c1ccc2c(c1)-c1ccc(Nc3ccccc3Cl)cc1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
CYP1A2 P05177 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
LCK P06239 2/20 0.40
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11290981 0.91 MAPK14 (0.43) MAPK14CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL30572804 0.89 MAPK14 (0.41) MAPK14CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL9403767 0.89 MAPK14 (0.41) MAPK14CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL28484212 0.87 MAPK14 (0.47) MAPK14CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL7867939 0.84 CYP1A2 (0.44) MAPK14CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL7872791 0.81 MEN1 (0.41) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL8722651 0.77 MAPK14 (0.44) MAPK14CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL30194823 0.77 HSD17B10 (0.57) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19
SCHEMBL9234636 0.76 MAPK14 (0.42) MAPK14CYP1A2HSD17B10CYP3A4CYP2C9
SCHEMBL7868915 0.76 CNR2 (0.45) CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303259-B1 FOR COLOR DUPLICATORS, COLOR PRINTERS, ETC MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2001-10-16 US disclosed
US-5517228-A Apparatus for displaying a recording medium sheet and printing an image thereon RICOH CO., LTD. (JP) 1996-05-14 US disclosed