SCHEMBL9575821

SCHEMBL9575821

O=C(O)c1ccc2c([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])cc2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.53
▸ TSHR P16473 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HCAR3 P49019 11/20 0.46
▸ HIPK2 Q9H2X6 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL2359474 0.82 CYP3A4 (0.59) CASP6TSHRAPEX1CA1CA2
SCHEMBL2359326 0.79 CYP3A4 (0.47) CASP6TSHRAPEX1CA1CA2
SCHEMBL6345493 0.78 COMT (0.48) CASP6TSHRLMNAHCAR3CA1
SCHEMBL28275810 0.77 PTPN1 (0.54) CASP6TSHRLMNAHCAR3TDP1
SCHEMBL6631502 0.77 PTPN1 (0.46) CASP6TSHRLMNAHCAR3TDP1
SCHEMBL4940986 0.76 ESR1 (0.60) CASP6TSHRLMNAHCAR3CA1
SCHEMBL16602089 0.75 CA1 (0.56) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL8526914 0.75 TSHR (0.58) CASP6TSHRLMNAHCAR3TDP1
SCHEMBL11052022 0.74 PTPN1 (0.58) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL11420059 0.73 CA1 (0.51) TSHRCA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290736-A Polyimide with high strength and high elongation at break as well as preparation method and application thereof 浙江大学 2024-07-05 — — CN disclosed
CN-109337065-B Soluble aminated rigid rod polymer and preparation method and composition thereof 浙江大学 2022-11-11 — — CN disclosed
CN-109337065-A A kind of soluble Amino Rigid-rod polymer and preparation method thereof and composition 浙江大学 2019-02-15 — — CN disclosed
EP-0346843-B1 PROCESS FOR SEPARATING 2,6-DIMETHYLNAPHTHALENE Mitsubishi Oil Company, Limited (JP) 1993-09-15 — — EP disclosed
US-3936509-A Process for separating dimethyl naphthalenes comprising 2,6-dimethyl naphthalenes as main component TEIJIN LIMITED (JA) 1976-02-03 — — US disclosed
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