SCHEMBL17505145

SCHEMBL17505145

CCc1c(C)c2cc([N+](=O)[O-])ccc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ PARP1 P09874 2/20 0.56
▸ CA12 O43570 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ MAPT P10636 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ GRIA1 P42261 1/20 0.53
▸ GRIA2 P42262 1/20 0.53
▸ GRIA3 P42263 1/20 0.53
▸ GRIA4 P48058 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL9400646 0.81 MAPT (0.54) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL17505163 0.78 CTSV (0.52) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL17505160 0.77 PARP1 (0.52) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL17505167 0.77 ALDH1A1 (0.59) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL4011471 0.77 ALDH1A1 (0.68) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL30312308 0.77 ALDH1A1 (0.68) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL17505203 0.77 HSD17B10 (0.56) ALDH1A1PARP1CA12CA9MAPT
SCHEMBL31154578 0.75 GRIA1 (0.57) ALDH1A1MEN1POLBKMT2APARP1
SCHEMBL17505193 0.75 PARP1 (0.52) ALDH1A1MEN1POLBPKMNPY1R
SCHEMBL9311173 0.75 PARP1 (0.45) MEN1POLBPKMKMT2APARP1

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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