SCHEMBL11081029

SCHEMBL11081029

CN1C(=O)CNN(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.41
POLB P06746 3/20 0.40
HPGD P15428 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
SMO Q99835 2/20 0.37
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36

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
SCHEMBL11081247 0.72 KMT2A (0.44) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL11082068 0.71 KMT2A (0.43) KMT2AMEN1ALDH1A1DRD2DRD4
SCHEMBL13924866 0.70 ERCC1 (0.50) ALOX12KMT2AMEN1ALDH1A1POLB
SCHEMBL7922538 0.66 TSHR (0.35) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL6293317 0.65 KMT2A (0.73) KMT2AMEN1ALDH1A1POLBTSHR
SCHEMBL13924876 0.65 SMO (0.58) ALOX12KMT2AMEN1DRD2DRD4
SCHEMBL13924879 0.65 SMO (0.58) ALOX12KMT2AMEN1DRD2DRD4
SCHEMBL17294178 0.64 ALDH1A1 (0.62) ALOX12KMT2AMEN1ALDH1A1POLB
SCHEMBL28548456 0.63 CA12 (0.59) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL4692001 0.62 MEN1 (0.47) KMT2AMEN1ALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426522-A ANTICOCCIDIAL ABIC LTD. (IL) 1984-01-17 US disclosed
EP-0058534-A2 Hexahydro-1,2,4-triazine-3,5-dione derivatives and their use as feed additives ABIC LTD. (IL) 1982-08-25 EP disclosed