SCHEMBL28800372

SCHEMBL28800372

Cc1nn(C)c(=O)c(-c2c(F)ccc(Cl)c2CCc2ccccc2C#N)c1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.34
NPBWR1 P48145 1/20 0.33
THRB P10828 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 2/20 0.33
MAPK14 Q16539 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ACLY P53396 1/20 0.32
CASR P41180 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL22085490 0.84 MAPT (0.38) LMNAMAPTNPBWR1THRBKMT2A
SCHEMBL22031792 0.83 CASR (0.40) LMNAMAPTKMT2ACASR
SCHEMBL22085783 0.83 AR (0.36) MAPTARMAPK14
SCHEMBL29581990 0.83 AR (0.36) MAPTARMAPK14
SCHEMBL22906297 0.82 LMNA (0.40) LMNAMAPTSLC22A12KMT2ACASR
SCHEMBL29263844 0.81 HTR2A (0.39) LMNAMAPTKMT2AALDH1A1
SCHEMBL22084636 0.80 LMNA (0.36) LMNAMAPTSLC22A12KMT2ACASR
SCHEMBL22031854 0.79 CYP1A2 (0.38) LMNAMAPTARCASR
SCHEMBL22085782 0.79 MAPT (0.37) LMNAMAPTSLC22A12KMT2AMDM2
SCHEMBL25180332 0.79 HSD17B13 (0.41) LMNAMAPTKMT2AALDH1A1

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
CN-114555563-B Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-11-15 CN disclosed
CN-118108674-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-05-31 CN disclosed
CN-118084803-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-05-28 CN disclosed
CN-118084802-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-05-28 CN disclosed
CN-114555563-A Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2022-05-27 CN disclosed