SCHEMBL8198683

SCHEMBL8198683

C=NC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNN4 O15554 4/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2B6 P20813 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 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
SCHEMBL12408520 0.82 ESR1 (0.40) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL11006727 0.79 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3447538 0.78 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3281006 0.78 KCNN4 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3447537 0.78 MAPK1 (0.48) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL246162 0.74 ALDH1A1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL8209519 0.73 PTPN1 (0.42) ALDH1A1CYP3A4
SCHEMBL13889921 0.72 KCNN4 (0.41) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL10608306 0.72 MAPK1 (0.42) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL10608311 0.72 MAPK1 (0.42) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605726-B1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI CHEM CORP (JP) 2000-04-12 EP claimed
EP-0605726-A1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-07-13 EP claimed
JP-7179460-A None JP disclosed
JP-7101946-A None JP disclosed
EP-0605726-B1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI CHEM CORP (JP) 2000-04-12 EP disclosed
US-5932521-A Herbicidal 1,3-oxazin-4-one derivatives and intermediates thereto RHONE-POULENC AGROCHIMIE (FR) 1999-08-03 US disclosed
US-5696054-A REACTING SUBSTITUTED 1,3-DIOXIN-4-ONE DERIVATIVES AND N-METHYLENE-ALKYLAMINE; PLANT GROWTH REGULATOR RHONE-POULENC AGROCHIMIE (FR) 1997-12-09 US disclosed
US-5436224-A Plant growth regulators MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1995-07-25 US disclosed
JP-H07179460-A 1,3-OXAZIN-4-ONE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT MITSUBISHI CHEM CORP 1995-07-18 JP disclosed
JP-H07101946-A PRODUCTION OF 1,3-OXAZIN-4-ONE DERIVATIVE MITSUBISHI CHEM CORP 1995-04-18 JP disclosed
EP-0605726-A1 1,3-OXAZIN-4-ONE DERIVATIVE, HERBICIDE CONTAINING THE SAME, AND NOVEL INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1994-07-13 EP disclosed