SCHEMBL8744408

SCHEMBL8744408

O=C1c2ccccc2C(=O)N1OCCOCc1ccccc1F

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.43
CYP1A2 P05177 2/20 0.43
RECQL P46063 1/20 0.43
IDO1 P14902 2/20 0.41
CYP2C9 P11712 1/20 0.40
CA12 O43570 1/20 0.40
ACHE P22303 3/20 0.39

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
SCHEMBL21045989 0.86 MEN1 (0.61) GAAALDH1A1MEN1KMT2AATM
SCHEMBL12029057 0.81 GAA (1.00) GAAALDH1A1MEN1KMT2AATM
SCHEMBL3077457 0.81 GAA (1.00) GAAALDH1A1MEN1KMT2AATM
SCHEMBL12028883 0.81 GAA (1.00) GAAALDH1A1MEN1KMT2AATM
SCHEMBL22326350 0.79 GAA (0.88) GAAALDH1A1MEN1KMT2AATM
SCHEMBL14237867 0.76 GAA (0.83) GAAALDH1A1MEN1KMT2AATM
SCHEMBL13452773 0.74 GAA (0.79) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL20363040 0.74 GAA (0.86) GAAALDH1A1MEN1KMT2AATM
SCHEMBL24181345 0.73 GAA (0.83) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL2385576 0.73 GAA (0.83) GAAALDH1A1MEN1KMT2AATM

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
US-5597776-A ANTAGONIST FOR HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
EP-0599906-B1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE BASF AG (DE) 1997-01-15 EP disclosed
US-5491123-A Herbicides containing 3-aminobenzo(B)thiophenes as antidotes BASF AKTIENGESELLSCHAFT (DE) 1996-02-13 US disclosed
US-5378677-A Applying with cyclohexenone derivative BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0456112-B1 Cyclohexenone oxime ethers, process for their preparation and their use as herbicides BASF AG (DE) 1994-08-31 EP disclosed
EP-0599906-A1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE. BASF AG (DE) 1994-06-08 EP disclosed
EP-0552493-A1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF Aktiengesellschaft (DE) 1993-07-28 EP disclosed
EP-0537463-A2 Substituted pyrido(2,3-d)pyrimidines as antidotes BASF Aktiengesellschaft (DE) 1993-04-21 EP disclosed
WO-1993004057-A2 HERBICIDES CONTAINING 3-AMINOBENZO[B]THIOPHENES AS AN ANTIDOTE BASF AKTIENGESELLSCHAFT (DE) 1993-03-04 WO disclosed
US-5190573-A CYCLOHEXENONE OXIME ETHERS, THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
EP-0456112-A1 Cyclohexenone oxime ethers, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1991-11-13 EP disclosed