SCHEMBL29720508

SCHEMBL29720508

Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.59
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 2/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 2/20 0.44
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1369756 1.00 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL7520585 0.86 TDP1 (0.60) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL58062 0.84 TSHR (0.67) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL28668057 0.84 TSHR (0.67) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL3192684 0.84 ALDH1A1 (0.62) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
Ammonia Solution, Strong SCHEMBL27498999 0.83 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL27786040 0.83 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL30313551 0.83 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL2946228 0.83 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10
SCHEMBL3192674 0.82 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661362-A Continuous preparation method of mononitroaromatic hydrocarbon 中国科学院大连化学物理研究所 2025-03-21 CN disclosed
EP-4225728-A1 MIXED AROMATIC AMINE MONOMERS AND POLYMERS THEREOF ExxonMobil Technology and Engineering Company (US) 2023-08-16 EP disclosed
CN-116323548-A Mixed aromatic amine monomers and polymers thereof 埃克森美孚技术与工程公司 2023-06-23 CN disclosed
WO-2022082148-A1 MIXED AROMATIC AMINE MONOMERS AND POLYMERS THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2022-04-21 WO disclosed