SCHEMBL31399704

SCHEMBL31399704

CC(C)(C)[Si](F)(c1cccnc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 1/20 0.39
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
LMNA P02545 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL26611818 1.00 KIF11 (0.40) KIF11CYP2A6CYP1A2CYP3A4ALDH1A1
SCHEMBL9137368 0.77 KIF11 (0.41) KIF11CYP2A6CYP1A2CYP3A4ALDH1A1
SCHEMBL702684 0.75 NR1H2 (0.36) CYP3A4ALDH1A1SLC6A2LMNAALOX15
SCHEMBL26611797 0.73 KIF11 (0.38) KIF11CYP3A4ALDH1A1SLC6A2SLC6A4
SCHEMBL707762 0.71 NR1H2 (0.37)
SCHEMBL29505165 0.70 CYP2A6 (0.48) KIF11CYP2A6CYP1A2CYP3A4ALDH1A1
SCHEMBL2180224 0.70 CYP2A6 (0.48) KIF11CYP2A6CYP1A2CYP3A4ALDH1A1
SCHEMBL10479554 0.67 CYP2A6 (0.44) KIF11CYP2A6CYP1A2CYP3A4ALDH1A1
SCHEMBL10479669 0.67 CYP2A6 (0.44) KIF11CYP2A6CYP1A2CYP3A4ALDH1A1
SCHEMBL31528409 0.67 ACHE (0.44) CYP1A2CYP3A4ALDH1A1TDP1TP53

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-119301134-A Silicon fluoride heteroaromatic systems for theranostics and methods therefor 富齐奥奈尔治疗诊断股份有限公司 2025-01-10 CN disclosed