SCHEMBL7769002

SCHEMBL7769002

Cc1ccc(C2C(=O)NC3(CCCCC3)C2=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PDE7A Q13946 4/20 0.40
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8863053 1.00 KMT2A (0.42) KMT2ANPC1RAB9APDE7APOLB
SCHEMBL6767166 0.86 ALDH1A1 (0.36) KMT2ANPC1RAB9APOLBUSP2
SCHEMBL8906325 0.86 THRB (0.43) KMT2APDE7ALMNAMEN1ALDH1A1
SCHEMBL8559348 0.86 PDE7A (0.45) KMT2ANPC1RAB9APDE7APOLB
SCHEMBL6992901 0.82 ALDH1A1 (0.37) KMT2ARAB9APDE7AMEN1ALDH1A1
SCHEMBL8652013 0.82 KMT2A (0.40) KMT2ANPC1RAB9APDE7APOLB
SCHEMBL8645554 0.81 KMT2A (0.38) KMT2ANPC1RAB9APDE7APOLB
SCHEMBL12496757 0.76 PDE7A (0.45) PDE7AALDH1A1HTT
SCHEMBL7781016 0.76 DDB1 (0.36) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL2889210 0.76 KMT2A (0.41) KMT2ANPC1RAB9APDE7APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6271537-A None JP disclosed
EP-0613884-B1 Dialkyl-1-H-3(2,4-dimethylphenyl)-pyrrolidin-2,4-diones, their preparation and their use as parasiticides and herbicides BAYER AG (DE) 2001-06-20 EP disclosed
US-5602078-A POSSESS HERBICIDAL AND PESTICIDAL ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
US-5504057-A HERBICIDES; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
JP-H06271537-A DIALKYL-1-H-3-(2,4-DIMETHYLPHENYL)-PYRROLIDINE-2,4-DIONES, THEIR PREPARATION AND THEIR USE BAYER AG 1994-09-27 JP disclosed
EP-0613884-A2 Dialkyl-1-H-3(2,4-dimethylphenyl)-pyrrolidin-2,4-diones, their preparation and their use as parasiticides and herbicides BAYER AG (DE) 1994-09-07 EP disclosed