SCHEMBL30320192

SCHEMBL30320192

O=S(=O)(CCC(O)Cn1c2ccccc2c2ccccc21)NCc1ccco1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
ALOX15 P16050 1/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PER2 O15055 19/20 0.57
CRY1 Q16526 18/20 0.57
CRY2 Q49AN0 18/20 0.57
TSHR P16473 1/20 0.55

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
SCHEMBL15380477 0.77 LMNA (1.00) LMNATP53ALOX15MAPK1HSD17B10
SCHEMBL20450142 0.73 PER2 (0.68) LMNAMAPK1PER2CRY1CRY2
SCHEMBL15380357 0.72 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL29381903 0.71 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15380452 0.71 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL30320185 0.71 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15380529 0.70 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15380696 0.70 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15380534 0.70 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15379772 0.70 PER2 (1.00) PER2CRY1CRY2TSHR

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-115974763-A Carbazole derivative and application thereof 常州大学 2023-04-18 CN disclosed