SCHEMBL9577795

SCHEMBL9577795

O=S(=O)(O)c1ccc(N=Nc2c(O)ccc3ccccc23)c2ccccc12.[NaH]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.71
▸ MPL P40238 8/20 0.70
▸ CTRC Q99895 2/20 0.70
▸ CYP1A2 P05177 2/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ PTPRA P18433 1/20 0.65
▸ PTPRB P23467 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ HIF1A Q16665 1/20 0.65
▸ RAPGEF4 Q8WZA2 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ KMT2A Q03164 4/20 0.59
▸ THRB P10828 3/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ MAPK1 P28482 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 3/20 0.55
▸ GAA P10253 1/20 0.55

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
SCHEMBL2118271 1.00 CTRB1 (0.71) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL10625282 1.00 CTRB1 (0.71) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL5701120 0.99 CTRB1 (0.73) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL6763835 0.99 CTRB1 (0.73) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL30049470 0.99 CTRB1 (0.73) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL30960384 0.97 CTRB1 (0.71) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL10621000 0.94 CYP1A2 (0.70) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL10621005 0.94 CYP1A2 (0.70) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL3346357 0.88 KMT2A (0.77) CTRB1MPLCTRCCYP1A2CYP2C9
SCHEMBL28767316 0.88 KMT2A (0.77) CTRB1MPLCTRCCYP1A2CYP2C9

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
EP-0229191-B1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1993-06-02 — — EP disclosed
US-4855133-A Composition for attracting flies EARTH CHEMICAL COMPANY, LIMITED (JP) 1989-08-08 — — US disclosed
US-4756854-A Method and apparatus for detecting hydrocarbon fuel leaks LOCKHEED CORPORATION (US) 1988-07-12 — — US disclosed
EP-0229191-A1 FLY-ATTRACTIVE COMPOSITION EARTH CHEMICAL CO., LTD. (JP) 1987-07-22 — — EP disclosed
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