SCHEMBL17505194

SCHEMBL17505194

O=c1[nH]c2ccc(CCC[N+](=O)[O-])cc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 8/20 0.38
▸ GRIN3B O60391 8/20 0.38
▸ GRIN1 Q05586 8/20 0.38
▸ GRIN2A Q12879 8/20 0.38
▸ GRIN2B Q13224 8/20 0.38
▸ GRIN2C Q14957 8/20 0.38
▸ GRIN3A Q8TCU5 8/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ DAO P14920 1/20 0.35
▸ GRIA1 P42261 2/20 0.34
▸ GRIA2 P42262 2/20 0.34
▸ GRIA3 P42263 2/20 0.34
▸ GRIA4 P48058 2/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL17505208 0.81 KDM4E (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17505149 0.80 POLB (0.45) POLBMAPTPKM
SCHEMBL30372157 0.74 DAO (0.41) DAOALDH1A1CYP3A4
SCHEMBL24207597 0.73 GRIA1 (0.60) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL7063585 0.71 KDM4E (0.58) ALDH1A1LMNAMAPTHPGDKDM4E
SCHEMBL17505144 0.69 MAPT (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27590744 0.69 SMAD3 (0.53) FFAR1DAOALDH1A1LMNACYP1A2
SCHEMBL17505168 0.68 ALDH1A1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17505161 0.68 AR (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11551629 0.68 KCNJ1 (0.50) FFAR1ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016022915-A1 6-SULFONYLAMINO QUINOLINE COMPOUNDS AS PLANT GROWTH REGULATORS THE REGENT OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-11 — — WO disclosed
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