SCHEMBL31277232

SCHEMBL31277232

COc1cc(C#C[Si](C)(C)C(C)(C)C)cc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GRM5 P41594 3/20 0.34
CYP1A1 P04798 4/20 0.33
CYP1B1 Q16678 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
DYRK1A Q13627 1/20 0.33
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
APP P05067 1/20 0.32
CYP1A2 P05177 1/20 0.32
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL673173 0.80 ALDH1A1 (0.48) ALDH1A1GRM5CYP1A1CYP1B1L3MBTL1
SCHEMBL674040 0.75 ALDH1A1 (0.65) ALDH1A1GRM5CYP1A1CYP1B1L3MBTL1
SCHEMBL711936 0.74 APP (0.48) ALDH1A1GRM5CYP1A1CYP1B1L3MBTL1
SCHEMBL31277412 0.72 TRPV4 (0.36) DYRK1A
SCHEMBL9996645 0.71 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL26633079 0.70 CA12 (0.37) CA1
SCHEMBL17553242 0.70 L3MBTL1 (0.41) ALDH1A1GRM5CYP1A1CYP1B1L3MBTL1
SCHEMBL10126382 0.69 APP (0.42) ALDH1A1CA1CA2APPMAPT
SCHEMBL8006347 0.69 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1L3MBTL1TDP1
SCHEMBL28283325 0.69 ALDH1A1 (0.55) ALDH1A1CYP1A1CYP1B1L3MBTL1TDP1

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-119176818-A Sulfonamide compounds, pharmaceutical compositions and uses thereof 北京康辰药业股份有限公司 2024-12-24 CN disclosed