SCHEMBL30255693

SCHEMBL30255693

Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.81
POLB P06746 3/20 0.81
MAPT P10636 2/20 0.81
MEN1 O00255 2/20 0.81
KMT2A Q03164 2/20 0.81
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
FFAR4 Q5NUL3 1/20 0.51
PKM P14618 1/20 0.50
IKBKB O14920 1/20 0.47
ABCC1 P33527 2/20 0.47
ABCB1 P08183 2/20 0.47
KCNMA1 Q12791 1/20 0.47
MAPK1 P28482 2/20 0.46

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
SCHEMBL653911 1.00 TDP1 (0.81) TDP1POLBMAPTMEN1KMT2A
SCHEMBL29409289 0.90 MAPT (1.00) TDP1POLBMAPTMEN1KMT2A
SCHEMBL737722 0.90 MAPT (1.00) TDP1POLBMAPTMEN1KMT2A
SCHEMBL30581227 0.87 MAPT (0.85) TDP1POLBMAPTMEN1KMT2A
SCHEMBL9649469 0.87 TDP1 (0.85) TDP1POLBMAPTMEN1KMT2A
SCHEMBL3178960 0.87 MAPT (0.85) TDP1POLBMAPTMEN1KMT2A
SCHEMBL10714493 0.87 TDP1 (0.85) TDP1POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3973011 0.86 MAPT (0.92) TDP1POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3973012 0.86 MAPT (0.92) TDP1POLBMAPTMEN1KMT2A
SCHEMBL31570099 0.85 MAPT (0.58) TDP1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116199674-B Rhodamine fluorescence quenching agent based on torsion intramolecular charge transfer, synthesis and application 中国科学院大连化学物理研究所 2024-09-20 CN claimed
CN-116199674-A Rhodamine fluorescence quenching agent based on torsion intramolecular charge transfer, synthesis and application 中国科学院大连化学物理研究所 2023-06-02 CN claimed
CN-116199674-B Rhodamine fluorescence quenching agent based on torsion intramolecular charge transfer, synthesis and application 中国科学院大连化学物理研究所 2024-09-20 CN disclosed
CN-118221744-A Organometallic compound, organic light-emitting device including the same, and electronic apparatus including the organic light-emitting device 三星电子株式会社 2024-06-21 CN disclosed
CN-116199674-A Rhodamine fluorescence quenching agent based on torsion intramolecular charge transfer, synthesis and application 中国科学院大连化学物理研究所 2023-06-02 CN disclosed
CN-115925749-A Light-emitting device, electronic apparatus including the same, and organometallic compound 三星显示有限公司 2023-04-07 CN disclosed