SCHEMBL28021054

SCHEMBL28021054

O=[N+]([O-])c1ccc(CCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
ALDH1A1 P00352 5/20 0.56
MAPK1 P28482 3/20 0.56
HIF1A Q16665 2/20 0.56
CYP2C19 P33261 2/20 0.56
HSP90AA1 P07900 1/20 0.56
TLR9 Q9NR96 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX5 P09917 1/20 0.51
POLB P06746 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49

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
Methoxymethane SCHEMBL27502169 0.94 CYP1A2 (0.54) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL27675226 0.90 CYP1A2 (0.56) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL28297801 0.89 CYP1A2 (0.55) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL27961047 0.88 CYP1A2 (0.68) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL5248985 0.87 CYP1A2 (0.59) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL28564776 0.82 RAB9A (0.59) ALDH1A1CYP3A4MAPTSIGMAR1TSHR
SCHEMBL27583120 0.82 ALDH1A1 (0.65) CYP1A2ALDH1A1CYP2C19TLR9MAPT
SCHEMBL8405920 0.81 GPR35 (0.50) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL29036568 0.81 CYP1A2 (0.54) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19
SCHEMBL19622954 0.81 CYP1A2 (0.54) CYP1A2ALDH1A1MAPK1HIF1ACYP2C19

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