SCHEMBL28604357

SCHEMBL28604357

CC(C)(C)[Si](C)(C)OCCc1cccc2c(-c3[c]cc(F)cc3)c[nH]c12

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.31
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
NPC1 O15118 1/20 0.31
ATM Q13315 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
SCHEMBL28604379 0.74 HTR1A (0.34)
SCHEMBL15902544 0.73 LMNA (0.42) MEN1RAB9AKMT2ANPC1
SCHEMBL15267246 0.69 ALDH1A1 (0.42) MEN1RAB9AKMT2ANPC1
SCHEMBL8140362 0.68 MPO (0.55) KMT2A
SCHEMBL15901911 0.67 MEN1 (0.45) MEN1RAB9AKMT2ANPC1
SCHEMBL6031101 0.66 HTR2A (0.37) ARNR3C1PGRNR3C2
SCHEMBL8129433 0.66 HTR2A (0.55) KMT2A
SCHEMBL1245422 0.65 TAAR1 (0.44) MEN1KMT2A
SCHEMBL7902192 0.65 HTR2A (0.50) MEN1KMT2A
SCHEMBL31663376 0.64 REN (0.36) MEN1RAB9AKMT2AGAAATM

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
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 CN disclosed