SCHEMBL8744384

SCHEMBL8744384

O=C1c2ccccc2C(=O)N1OCC=Cc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
GAA P10253 1/20 0.49
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
ERBB2 P04626 1/20 0.40
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
ALDH3A1 P30838 1/20 0.38
RCE1 Q9Y256 1/20 0.38
RECQL P46063 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL8744380 1.00 ALDH1A1 (0.54) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL9673492 0.88 ALDH1A1 (0.60) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL9673487 0.88 ALDH1A1 (0.60) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL12426121 0.77 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1ERBB2
SCHEMBL8976739 0.76 ALDH1A1 (0.50) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL8976734 0.76 ALDH1A1 (0.50) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL10791501 0.74 ALDH1A1 (0.64) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL10791508 0.74 ALDH1A1 (0.64) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL9625592 0.73 GAA (0.56) ALDH1A1GAAMAPTCYP1A2KMT2A
SCHEMBL9625589 0.73 GAA (0.56) ALDH1A1GAAMAPTCYP1A2KMT2A

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
EP-0456069-B1 Cyclohexenonoximethers, process and intermediates for their production and their usage as herbicides BASF AG (DE) 1996-10-23 EP disclosed
US-5563114-A Cyclohexenone oxime ethers, their preparation, intermediates for their preparation and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1996-10-08 US 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-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
EP-0456069-A1 Cyclohexenonoximethers, process and intermediates for their production and their usage as herbicides BASF Aktiengesellschaft (DE) 1991-11-13 EP disclosed