SCHEMBL17505168

SCHEMBL17505168

O=c1cc(O)c2cc(CCC[N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ AR P10275 1/20 0.43
▸ BRD4 O60885 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GRIN2D O15399 2/20 0.35
▸ GRIN3B O60391 2/20 0.35
▸ GRIN1 Q05586 2/20 0.35
▸ GRIN2A Q12879 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ GRIN2C Q14957 2/20 0.35
▸ GRIN3A Q8TCU5 2/20 0.35
▸ GPR84 Q9NQS5 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 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 0.84 AR (0.43) ALDH1A1KDM4EARHPGDLMNA
SCHEMBL17505164 0.81 AR (0.47) ALDH1A1KDM4EARHPGDLMNA
SCHEMBL23695580 0.81 GPR84 (0.52) ALDH1A1KDM4EARBRD4HPGD
SCHEMBL2267028 0.79 KDM4E (0.53) ALDH1A1KDM4EARBRD4KDM5A
SCHEMBL11007109 0.78 GPR84 (0.51) ALDH1A1KDM4EGPR84
SCHEMBL17505149 0.77 POLB (0.45) ARMAPT
SCHEMBL2056333 0.74 KDM4E (0.54) ALDH1A1KDM4EARBRD4KDM5A
SCHEMBL4469615 0.73 CA12 (0.58) ALDH1A1KDM4ELMNAMEN1MAPT
SCHEMBL31081636 0.73 CA12 (0.58) ALDH1A1KDM4ELMNAMEN1MAPT
SCHEMBL17505144 0.72 MAPT (0.36) ALDH1A1KDM4ELMNAGRIN2DGRIN3B

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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