SCHEMBL17505208

SCHEMBL17505208

COc1cc2cc(CCC[N+](=O)[O-])ccc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.41
▸ ALDH1A1 P00352 6/20 0.38
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ PDE10A Q9Y233 3/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ GRIN2D O15399 2/20 0.36
▸ GRIN3B O60391 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ GRIN2C Q14957 2/20 0.36
▸ GRIN3A Q8TCU5 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35

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 0.81 GRIN2D (0.38) KDM4EALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17505164 0.78 AR (0.47) KDM4EALDH1A1NPSR1HTR1AHTR2C
SCHEMBL17505149 0.77 POLB (0.45) HTR1AMAPTPOLB
SCHEMBL17505144 0.76 MAPT (0.36) KDM4EALDH1A1HTTGRIN2DGRIN3B
SCHEMBL15190610 0.76 ATM (0.53) KDM4EMAPTPOLB
SCHEMBL29626851 0.76 ATM (0.53) KDM4EMAPTPOLB
SCHEMBL31444686 0.75 GRIA1 (0.55) HTTMAPTPOLB
SCHEMBL7063585 0.73 KDM4E (0.58) KDM4EALDH1A1HTTMAPTHPGD
SCHEMBL15690453 0.68 FLT3 (0.51) KDM4EALDH1A1PDE10AGRIN2DGRIN3B
SCHEMBL7051536 0.68 KCNJ1 (0.54) ALDH1A1MAPT

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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