SCHEMBL17505149

SCHEMBL17505149

O=c1ccc2cc(CCC[N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.45
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ F11 P03951 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ AR P10275 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL17505194 0.80 GRIN2D (0.38) POLBMAPTPKM
SCHEMBL17505185 0.79 CA12 (0.49) POLBCA12CA9F11MAPT
SCHEMBL6194384 0.78 CA12 (0.51) POLBCA12CA9F11MAPT
SCHEMBL8860929 0.78 F11 (0.51) POLBCA12CA9F11MAPT
SCHEMBL17505161 0.77 AR (0.43) CA12CA9MAPTPKMAR
SCHEMBL17505168 0.77 ALDH1A1 (0.44) MAPTAR
SCHEMBL17505140 0.77 SMN1; SMN2 (0.36) POLBCA12CA9MAPT
SCHEMBL17505208 0.77 KDM4E (0.41) POLBMAPTHTR1A
SCHEMBL17505164 0.74 AR (0.47) POLBMAPTHTR1AARMAPK1
SCHEMBL20671970 0.72 CA12 (0.51) POLBCA12CA9F11MAPT

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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