SCHEMBL17505164

SCHEMBL17505164

COc1cc(=O)[nH]c2ccc(CCC[N+](=O)[O-])cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.47
▸ CDC25A P30304 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HTR1A P08908 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ CTSV O60911 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ BLM P54132 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL17505161 0.81 AR (0.43) ARMEN1KMT2AMAPTALDH1A1
SCHEMBL17505168 0.81 ALDH1A1 (0.44) ARCDC25ACDC25BHIF1AMEN1
SCHEMBL17505144 0.79 MAPT (0.36) CDC25ACDC25BHIF1ACTSVCTSL
SCHEMBL17505208 0.78 KDM4E (0.41) HTR1AHTR2CMAPTALDH1A1KDM4E
SCHEMBL15190610 0.76 ATM (0.53) MEN1KMT2AMAPTKDM4EBLM
SCHEMBL29626851 0.76 ATM (0.53) MEN1KMT2AMAPTKDM4EBLM
SCHEMBL31254142 0.75 CTSV (0.60) ARCTSVCTSLMEN1KMT2A
SCHEMBL17505149 0.74 POLB (0.45) ARHTR1AMAPTPOLBMAPK1
SCHEMBL12533056 0.70 AR (0.57) ARCDC25ACDC25BHIF1AMEN1
SCHEMBL1771739 0.68 AR (0.56) ARMAPTALDH1A1KDM4ETDP1

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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