SCHEMBL29761325

SCHEMBL29761325

CC(=O)OCOc1c(C)nn(C)c(=O)c1-c1c(Br)sc2ccc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.34
▸ CASP3 P42574 2/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SPR P35270 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ HK1 P19367 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ SCD O00767 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
SCHEMBL29059216 0.80 CASP3 (0.35) MIFCASP3SMN1; SMN2POLBTSHR
SCHEMBL29761326 0.78 TSHR (0.34) MIFCASP3SMN1; SMN2POLBTSHR
SCHEMBL22499974 0.72 MAPK8 (0.39) NR2F2MAPTKDM4EMEN1KMT2A
SCHEMBL29761323 0.71 CASP3 (0.38) CASP3SMN1; SMN2POLBTSHRNR2F2
SCHEMBL29382005 0.69 MAPT (0.38) SMN1; SMN2POLBTSHRHTTMAPT
SCHEMBL22500189 0.69 MAPT (0.38) SMN1; SMN2POLBTSHRHTTMAPT
SCHEMBL25199057 0.67 ESR1 (0.34) SMN1; SMN2POLBTSHRNR2F2HTT
SCHEMBL30254871 0.64 MIF (0.38) MIFCYP1A2CYP2C19
SCHEMBL29385131 0.64 MAOB (0.41) CASP3SMN1; SMN2ALDH1A1KDM4E
SCHEMBL29761332 0.63 ALDH1A1 (0.37) TSHRALDH1A1LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267556-B1 SUBSTITUTED PYRIDAZINONE HERBICIDES FMC CORP (US) 2025-04-09 — — EP claimed
EP-4267556-A1 SUBSTITUTED PYRIDAZINONE HERBICIDES FMC CORPORATION (US) 2023-11-01 — — EP claimed
WO-2022140309-A1 SUBSTITUTED PYRIDAZINONE HERBICIDES FMC CORPORTION (US) 2022-06-30 — — WO claimed
EP-4267556-A1 SUBSTITUTED PYRIDAZINONE HERBICIDES FMC CORPORATION (US) 2023-11-01 — — EP disclosed
WO-2022140309-A1 SUBSTITUTED PYRIDAZINONE HERBICIDES FMC CORPORTION (US) 2022-06-30 — — WO disclosed
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