SCHEMBL22902091

SCHEMBL22902091

Cc1nn(-c2ccc(C(C)C)cc2F)cc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM1A O60341 4/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 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
SCHEMBL22902088 0.87 TRPA1 (0.35) LMNATRPA1
SCHEMBL22902097 0.85 LMNA (0.37) LMNATRPA1PTGS1CACNA1C
SCHEMBL22924559 0.82 PTGS1 (0.33) LMNATRPA1PTGS1CACNA1C
SCHEMBL20085553 0.75 PSEN1 (0.35) LMNARXRAGRIN1GRIN2BTRPA1
SCHEMBL22902092 0.74 NOTUM (0.46) LMNAPTGS1
SCHEMBL22902145 0.74 KDM4E (0.41) LMNATRPA1
SCHEMBL13659783 0.72 ALDH1A1 (0.38) KDM1A
SCHEMBL22902073 0.72 BCHE (0.40) LMNATRPA1
SCHEMBL24202824 0.70 NPC1 (0.40) LMNA
SCHEMBL22187765 0.70 MAPT (0.42) LMNA

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-2021013561-A1 PESTICIDAL PYRAZOLE AND TRIAZOLE DERIVATIVES BASF SE (DE) 2021-01-28 WO disclosed
EP-3766879-A1 PESTICIDAL PYRAZOLE DERIVATIVES BASF SE (DE) 2021-01-20 EP disclosed