SCHEMBL10985184

SCHEMBL10985184

CC(C)OC(=O)c1cc(-n2c(=O)n3n(c2=S)CCCCC3)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL10994663 0.87 ALDH1A1 (0.39) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL10990185 0.81 POLB (0.41) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL11367336 0.75 ALDH1A1 (0.40) MAPTPOLBNPSR1L3MBTL1HPGD
SCHEMBL10985357 0.74 TSHR (0.35) OPRK1MAPTKDM4EPOLBNPSR1
SCHEMBL10992106 0.74 MEN1 (0.48) MAPTKDM4ENPSR1L3MBTL1HPGD
SCHEMBL11369619 0.71 POLB (0.42) KDM4EPOLBNPSR1L3MBTL1HPGD
SCHEMBL11361250 0.69 ALDH1A1 (0.43) MAPTKDM4EPOLBNPSR1L3MBTL1
SCHEMBL11361649 0.68 ALDH1A1 (0.43) MAPTKDM4EPOLBNPSR1HPGD
SCHEMBL11367971 0.68 POLB (0.45) MAPTPOLBL3MBTL1HPGDLMNA
SCHEMBL11377070 0.68 POLB (0.45) MAPTPOLBL3MBTL1HPGDLMNA

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-4561880-A 1H[1,2,4]-Triazolo[1,2-a]pyridazine-1,3-diones useful as herbicides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-12-31 US disclosed
EP-0104484-A1 A heterocyclic compound and its use as herbicide Nippon Kayaku Kabushiki Kaisha (JP) 1984-04-04 EP disclosed