SCHEMBL30183646

SCHEMBL30183646

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-c2c[nH]c(=O)[nH]c2=O)cc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
BRD4 O60885 5/20 0.37
NR3C1 P04150 2/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
CYP3A4 P08684 3/20 0.35
PIM1 P11309 1/20 0.34
PDPK1 O15530 1/20 0.34
FYN P06241 2/20 0.33
GSK3B P49841 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
MAOB P27338 1/20 0.33
PTK2 Q05397 1/20 0.33
GHSR Q92847 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
SCHEMBL896951 1.00 CRBN (0.44) CRBNALDH1A1LMNABRD4NR3C1
SCHEMBL18380965 0.90 ALDH1A1 (0.44) CRBNALDH1A1LMNAPIM1MAOB
SCHEMBL482610 0.86 CRBN (0.46) CRBNALDH1A1LMNABRD4NR3C1
SCHEMBL482238 0.83 CRBN (0.44) CRBNALDH1A1LMNABRD4CYP3A4
SCHEMBL897104 0.83 ALDH1A1 (0.44) CRBNALDH1A1LMNABRD4CYP3A4
SCHEMBL896071 0.82 CRBN (0.46) CRBNALDH1A1LMNABRD4NR3C1
SCHEMBL896302 0.82 CRBN (0.62) CRBNALDH1A1LMNABRD4NR3C1
SCHEMBL896995 0.81 CRBN (0.52) CRBNALDH1A1LMNABRD4NR3C1
SCHEMBL482645 0.80 CRBN (0.46) CRBNALDH1A1LMNABRD4CYP3A4
SCHEMBL482629 0.80 CRBN (0.51) CRBNALDH1A1LMNABRD4NR3C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111557899-B Medicine for treating keratitis and preparation method thereof 北华大学 2023-02-21 CN disclosed
CN-111557899-B Medicine for treating keratitis and preparation method thereof 北华大学 2023-02-21 CN disclosed