SCHEMBL23950417

SCHEMBL23950417

O[C@H]1C[C@]([SiH3])(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.42
MAOB P27338 7/20 0.42
KDM1A O60341 7/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.38
HSD11B1 P28845 2/20 0.37
RCOR1 Q9UKL0 3/20 0.36
FUCA1 P04066 2/20 0.35

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
SCHEMBL28555751 0.79 MAOA (0.44) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL23950409 0.76 MAOA (0.61) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL29214271 0.73 HSD11B1 (0.41) MAOAMAOBKDM1AALDH1A1HSD11B1
SCHEMBL28166051 0.72 MAOA (0.50) MAOAMAOBKDM1ALMNA
SCHEMBL7434413 0.72 MAOA (0.39) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL7444026 0.72 MAOA (0.39) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL20440668 0.69 OPRK1 (0.45) ALDH1A1FUCA1
SCHEMBL7450746 0.68 ALDH1A1 (0.39) MAOAMAOBKDM1AALDH1A1LMNA
SCHEMBL19135880 0.68 FUCA1 (0.43) ALDH1A1HSD11B1FUCA1
SCHEMBL39509 0.68 KMT2A (0.44) ALDH1A1FUCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 WO disclosed