SCHEMBL17505144

SCHEMBL17505144

COc1c(C)c(=O)[nH]c2ccc(CCC[N+](=O)[O-])cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ GRIN2D O15399 6/20 0.35
▸ GRIN3B O60391 6/20 0.35
▸ GRIN1 Q05586 6/20 0.35
▸ GRIN2A Q12879 6/20 0.35
▸ GRIN2B Q13224 6/20 0.35
▸ GRIN2C Q14957 6/20 0.35
▸ GRIN3A Q8TCU5 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33

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
SCHEMBL17505164 0.79 AR (0.47) MAPTALDH1A1CTSVCTSLKDM4E
SCHEMBL17505208 0.76 KDM4E (0.41) MAPTHTTGRIN2DGRIN3BGRIN1
SCHEMBL17505168 0.72 ALDH1A1 (0.44) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17505161 0.72 AR (0.43) MAPTPARP1GRIN2DGRIN3BGRIN1
SCHEMBL17505194 0.69 GRIN2D (0.38) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15190610 0.69 ATM (0.53) MAPTSMN1; SMN2KDM4E
SCHEMBL29626851 0.69 ATM (0.53) MAPTSMN1; SMN2KDM4E
SCHEMBL17505149 0.67 POLB (0.45) MAPT
SCHEMBL7051536 0.66 KCNJ1 (0.54) MAPTALDH1A1SMN1; SMN2
SCHEMBL23674207 0.66 MAPT (0.40) MAPTHTTALDH1A1CTSVCTSL

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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