SCHEMBL28297800

SCHEMBL28297800

Cc1ccccc1Cc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MAPT P10636 6/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
THRB P10828 1/20 0.50
CYP3A4 P08684 5/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.47
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GPR35 Q9HC97 1/20 0.44
MAPK1 P28482 2/20 0.43

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
SCHEMBL28021053 0.88 CYP1A2 (0.51) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL5252230 0.85 GPR35 (0.57) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL13777208 0.84 HSD17B10 (0.62) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL30956253 0.84 HSD17B10 (0.62) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL1275610 0.83 CYP1A2 (0.56) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL28316374 0.83 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL14768876 0.80 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL8665553 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL8665555 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL10544797 0.79 POLB (0.51) ALDH1A1MAPTMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110462734-A PHOTOPOLYMER COMPOSITION LG CHEMICAL LTD 2019-11-15 CN disclosed
CN-110461935-A PHOTOPOLYMER COMPOSITION LG CHEMICAL LTD 2019-11-15 CN disclosed
CN-109790235-A PHOTOPOLYMER COMPOSITION 株式会社LG化学 2019-05-21 CN disclosed