SCHEMBL7898481

SCHEMBL7898481

CC(CO)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ RAB9A P51151 3/20 0.42

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
SCHEMBL10963796 0.86 ALDH1A1 (0.61) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10470231 0.83 HTT (0.46) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10470232 0.83 HTT (0.46) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9420221 0.82 ALDH1A1 (0.54) HTTL3MBTL1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10947367 0.81 ALDH1A1 (0.53) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9586772 0.81 ALDH1A1 (0.56) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL8508358 0.81 ALDH1A1 (0.51) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL11008454 0.81 HTT (0.51) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10974652 0.81 HTT (0.51) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL733453 0.81 MAPT (0.53) HTTL3MBTL1MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197728-B1 CONTROLLING UNWANTED PLANT GROWTH WHICH COMPRISES TREATING UNWANTED PLANTS WITH HERBICIDALLY EFFECTIVE QUINOXALINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2001-03-06 — — US disclosed
US-5364831-A Plant growth regulators NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-11-15 — — US disclosed
EP-0046467-B1 QUINOXALINE DERIVATIVES AND HERBICIDAL COMPOSITION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-03-27 — — EP disclosed
EP-0046467-A1 Quinoxaline derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-03-03 — — EP disclosed
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