SCHEMBL28878439

SCHEMBL28878439

C[Si](C)(C)Nc1nc2ccc(S(C)(=O)=O)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HPGD P15428 1/20 0.64
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
ACP1 P24666 1/20 0.61
CLK1 P49759 3/20 0.58
TP53 P04637 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.56
GAA P10253 1/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL29974741 1.00 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL210763 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL15376878 0.80 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1747940 0.78 MEN1 (0.59) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL3022069 0.77 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL12799099 0.76 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL4584286 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL7923965 0.76 ACP1 (0.78) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28878443 0.75 DYRK1A (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL29974725 0.75 DYRK1A (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A

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-115151536-A Antiviral compounds, compositions and methods of use 不列颠哥伦比亚大学 2022-10-04 CN disclosed