SCHEMBL10985357

SCHEMBL10985357

CC(C)OC(=O)c1cc(-n2c(=O)n3n(c2=O)CCCC3)c(F)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
OPRK1 P41145 4/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
WDR5 P61964 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
PTPN11 Q06124 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
SCHEMBL10995220 0.86 HPGD (0.42) TSHRMAPTLMNAWDR5POLB
SCHEMBL9706594 0.78 OPRK1 (0.30) OPRK1
SCHEMBL11207046 0.78 GRM7 (0.41)
SCHEMBL9519992 0.77 PTPN11 (0.31) L3MBTL1PTPN11
SCHEMBL7888644 0.76 JAK2 (0.33)
SCHEMBL7888767 0.76 MEN1 (0.32)
SCHEMBL9706605 0.76 TSHR (0.34) TSHRMAPTLMNAKDM4EHPGD
SCHEMBL10985184 0.74 OPRK1 (0.34) TSHROPRK1MAPTLMNACA12
SCHEMBL9522911 0.74 NPC1 (0.31) MAPT
SCHEMBL24152095 0.73 LMNA (0.38) TSHRMAPTLMNACA12CA1

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