SCHEMBL31284037

SCHEMBL31284037

C[Si](C)(C)c1cc2nc(Cl)cc(N3CCOCC3)c2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MAPT P10636 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAPK1 P28482 1/20 0.38
NCF1 P14598 2/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A3 P47895 1/20 0.35
PRKDC P78527 2/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL24776656 1.00 KMT2A (0.42) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL31283496 0.82 MAPT (0.42) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL31284926 0.80 ALDH3A1 (0.46) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL24776919 0.78 KMT2A (0.40) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL31283486 0.78 MAPT (0.40) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL24776516 0.75 MAPK10 (0.40) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL31283810 0.75 MAPK10 (0.40) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL31283767 0.74 KMT2A (0.35) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL24776296 0.74 MAPT (0.47) KMT2AMAPTCYP2D6CYP1A2MAPK1
SCHEMBL31283928 0.74 MAPT (0.47) KMT2AMAPTCYP2D6CYP1A2MAPK1

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-2024229253-A1 METHODS AND TREATMENT OF VIRAL INFECTION CAUSED BY SARS-COV-2 WITH FUSED BICYCLIC HETEROCYCLIC COMPOUNDS AND USES THEREOF Verge Analytics, Inc. (US) 2024-11-07 WO disclosed