SCHEMBL28021053

SCHEMBL28021053

Cc1ccccc1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.51
MAPT P10636 5/20 0.49
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 10/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
TSHR P16473 2/20 0.46
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL28297800 0.88 ALDH1A1 (0.50) CYP1A2MAPTCYP3A4CYP2D6CYP2C9
SCHEMBL11429326 0.87 CYP1A2 (0.57) CYP1A2MAPTCYP3A4CYP2D6CYP2C9
SCHEMBL5333075 0.85 CYP1A2 (0.66) CYP1A2MAPTCYP3A4CYP2D6CYP2C9
SCHEMBL13777208 0.84 HSD17B10 (0.62) MAPTHTTHSD17B10ALDH1A1MEN1
SCHEMBL30956253 0.84 HSD17B10 (0.62) MAPTHTTHSD17B10ALDH1A1MEN1
SCHEMBL1509538 0.84 ALDH1A1 (0.46) CYP1A2MAPTCYP3A4CYP2C19NPSR1
SCHEMBL5248985 0.83 CYP1A2 (0.59) CYP1A2MAPTCYP3A4CYP2D6CYP2C9
SCHEMBL27986196 0.82 CYP1A2 (0.51) CYP1A2MAPTCYP3A4CYP2D6CYP2C19
SCHEMBL28173524 0.82 CYP1A2 (0.46) CYP1A2MAPTCYP3A4CYP2D6CYP2C9
Methoxymethane SCHEMBL27522023 0.81 CYP1A2 (0.54) CYP1A2MAPTCYP3A4CYP2D6CYP2C9

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
CN-104752171-B gap filling material and method 台湾积体电路制造股份有限公司 2018-02-27 CN disclosed
CN-104752171-A Gap Filling Materials and Methods TAIWAN SEMICONDUCTOR MFG 2015-07-01 CN disclosed