SCHEMBL17505185

SCHEMBL17505185

NCCCc1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ F11 P03951 1/20 0.49
▸ POLB P06746 3/20 0.46
▸ AR P10275 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ PKM P14618 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL30636806 0.83 CA12 (0.55) CA12CA9F11POLBAR
SCHEMBL27239601 0.83 CA12 (0.55) CA12CA9F11POLBAR
SCHEMBL8860929 0.83 F11 (0.51) CA12CA9F11POLBAR
SCHEMBL6194384 0.83 CA12 (0.51) CA12CA9F11POLBAR
SCHEMBL17505149 0.79 POLB (0.45) CA12CA9F11POLBAR
SCHEMBL17505171 0.77 CA12 (0.45) CA12CA9F11POLBAR
SCHEMBL20671970 0.76 CA12 (0.51) CA12CA9F11POLBAR
SCHEMBL19376174 0.76 CA12 (0.55) CA12CA9F11POLBAR
SCHEMBL15230239 0.76 CA12 (0.55) CA12CA9F11POLBAR
SCHEMBL16044071 0.76 F11 (0.59) CA12CA9F11POLBAR

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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