SCHEMBL10654056

SCHEMBL10654056

CC(=O)Nc1cc(OC(C)C)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
RORC P51449 4/20 0.54
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.45
BRPF1 P55201 1/20 0.44
EPHX1 P07099 1/20 0.44
HTT P42858 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL30117898 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2847925 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL10458908 0.77 RORC (0.61) ALDH1A1RORCKMT2AMEN1MAPT
SCHEMBL23930798 0.77 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL23507165 0.77 MAPT (0.38) ALDH1A1RORCKMT2AMEN1MAPT
SCHEMBL2388970 0.75 EPHX1 (0.70) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL15935967 0.75 ALDH1A1 (0.71) ALDH1A1RORCKMT2AMAPTNPC1
SCHEMBL6783366 0.74 GLA (0.71) ALDH1A1RORCKMT2AMEN1MAPT
SCHEMBL21678186 0.74 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL30707863 0.74 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185731-A4 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1988-11-02 EP disclosed
EP-0185731-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1986-07-02 EP disclosed
WO-1986000072-A1 HERBICIDAL 2-ARYL-1,2,4-TRIAZINE-3,5(2H,4H)-DIONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1986-01-03 WO disclosed