SCHEMBL25762147

SCHEMBL25762147

Cc1cc(-n2cc(C(C)C)c(C)n2)ccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 1/20 0.33
CARM1 Q86X55 1/20 0.33
NOTUM Q6P988 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL25890847 0.84 KCNH2 (0.34) NPBWR1MCHR1LMNAGAAALDH1A1
SCHEMBL22902074 0.81 CNR1 (0.43) KDM4EKMT2ALMNAALDH1A1NPC1
SCHEMBL22902092 0.79 NOTUM (0.46) KMT2ALMNAALDH1A1NPC1MAPT
SCHEMBL24202824 0.78 NPC1 (0.40) KMT2ALMNAALDH1A1NPC1MAPT
SCHEMBL22734365 0.77 MAPT (0.48) KDM4EKMT2ALMNAALDH1A1NPC1
SCHEMBL25890477 0.75 ADORA3 (0.39) KDM4EKMT2ALMNAGAAALDH1A1
SCHEMBL13822148 0.74 NPBWR1 (0.34) NPBWR1MCHR1KDM4EKMT2ALMNA
SCHEMBL24908427 0.74 MAPKAPK2 (0.42) KDM4EKMT2AALDH1A1MAPTMEN1
SCHEMBL25890532 0.73 MEN1 (0.35) NPBWR1MCHR1KMT2AALDH1A1MAPT
SCHEMBL22902145 0.72 KDM4E (0.41) KDM4EKMT2ALMNAGAAALDH1A1

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
WO-2023110932-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-22 WO disclosed
EP-4198023-A1 PESTICIDALLY ACTIVE THIOSEMICARBAZONE COMPOUNDS BASF SE (DE) 2023-06-21 EP disclosed