SCHEMBL4945314

SCHEMBL4945314

O=[N+]([O-])c1ccc(-c2[c]cc(Cl)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MCL1 Q07820 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
TSHR P16473 2/20 0.41
APP P05067 1/20 0.41
VCAM1 P19320 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 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
Water SCHEMBL11828402 0.75 HSD17B10 (0.52) HSD17B10KMT2AMAPTTDP1MEN1
SCHEMBL29395323 0.72 NPBWR1 (0.52) HSD17B10KMT2AMAPTTDP1MEN1
SCHEMBL11621790 0.72 HSD17B10 (0.44) HSD17B10KMT2AMAPTTDP1MEN1
SCHEMBL2333608 0.72 CYP1A2 (0.60) HSD17B10KMT2AMAPTTDP1MEN1
SCHEMBL4945317 0.70 HSD17B10 (0.46) HSD17B10KMT2AMAPTTDP1MEN1
SCHEMBL5925388 0.70 ALDH1A1 (0.44) HSD17B10KMT2AMAPTTDP1MEN1
Water SCHEMBL28831227 0.69 CA12 (0.48) HSD17B10KMT2AMAPTTDP1MEN1
SCHEMBL3934744 0.69 MAPK1 (0.51) KMT2AMAPTTDP1MEN1NPC1
SCHEMBL7508880 0.69 HSD17B10 (0.41) HSD17B10KMT2AMAPTTDP1MEN1
SCHEMBL4541837 0.69 GPR35 (0.47) HSD17B10KMT2AMAPTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7364776-B2 Display device FUJIFILM CORPORATION (JP) 2008-04-29 US disclosed
US-7348044-B2 Liquid crystal composition and liquid crystal element FUJIFILM CORPORATION (JP) 2008-03-25 US disclosed
US-7338690-B2 Liquid crystal composition and liquid crystal device FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
US-7220465-B2 Liquid crystal composition, anthraquinone compound and liquid crystal device employing the composition FUJIFILM CORPORATION (JP) 2007-05-22 US disclosed
US-7220466-B2 Liquid crystal composition and liquid crystal device FUJIFILM CORPORATION (JP) 2007-05-22 US disclosed
US-20070003735-A1 Display device FUJI PHOTO FILM CO., LTD. (JP) 2007-01-04 US disclosed
US-20060263543-A1 Liquid crystal composition and liquid crystal element FUJI PHOTO FILM CO., LTD. (JP) 2006-11-23 US disclosed
US-20060060822-A1 Liquid crystal composition and liquid crystal device FUJI PHOTO FILM CO., LTD. (JP) 2006-03-23 US disclosed
US-20060054860-A1 Liquid crystal composition and liquid crystal device FUJI PHOTO FILM CO., LTD. (JP) 2006-03-16 US disclosed
US-20050173673-A1 Liquid crystal composition, anthraquinone compound and liquid crystal device employing the composition FUJI PHOTO FILM CO., LTD. (JP) 2005-08-11 US disclosed