SCHEMBL7744491

SCHEMBL7744491

O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.55
▸ NT5E P21589 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAD1 O60671 1/20 0.45
▸ P2RY6 Q15077 1/20 0.45
▸ ERN1 O75460 1/20 0.44
▸ PDE2A O00408 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PDE1B Q01064 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4D Q08499 1/20 0.43

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
SCHEMBL8653989 1.00 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL7744489 1.00 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL6815520 1.00 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL670637 0.98 RAD51 (0.56) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL455775 0.98 RAD51 (0.56) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL455776 0.98 RAD51 (0.56) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL29356717 0.98 RAD51 (0.56) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL9818822 0.97 RAD51 (0.58) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL6815530 0.97 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19
SCHEMBL10633178 0.97 RAD51 (0.55) RAD51NT5EALDH1A1TSHRCYP2C19

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
JP-4293969-A — — None — — JP disclosed
EP-3395911-A1 COLORING COMPOSITION, INKJET INK, AND PRINTING METHOD FUJIFILM Corporation (JP) 2018-10-31 — — EP disclosed
US-20180298196-A1 COLORING COMPOSITION, INK JET INK, AND TEXTILE PRINTING METHOD FUJIFILM CORPORATION (JP) 2018-10-18 — — US disclosed
EP-0825979-B1 PROCESS FOR THE CATALYTIC HYDROGENATION OF AROMATIC NITRO COMPOUNDS NOVARTIS AG (CH) 2001-01-03 — — EP disclosed
US-6096924-A IN THE PRESENCE OF AT LEAST ONE VANADIUM COMPOUND OF OXIDATION STATE 0, II, III, IV, OR V, WHEREIN SAID VANADIUM COMPOUND IS DISSOLVED OR DISPERSED IN SAID SOLUTION OR MELT. NOVARTIS AG (CH) 2000-08-01 — — US disclosed
JP-H04293969-A LIQUID COMPOSITION OF DIRECT DYE NIPPON KAYAKU CO LTD 1992-10-19 — — JP disclosed
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