SCHEMBL20462282

SCHEMBL20462282

C[S+]([O-])N(Cc1ccco1)CC(O)Cn1c2ccc(F)cc2c2ccc(F)cc21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PER2 O15055 20/20 0.70
CRY1 Q16526 20/20 0.70
CRY2 Q49AN0 20/20 0.70
TSHR P16473 1/20 0.48

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
SCHEMBL20462198 0.96 CRY1 (0.68) PER2CRY1CRY2TSHR
SCHEMBL15380432 0.82 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL20462146 0.80 PER2 (0.67) PER2CRY1CRY2
SCHEMBL20462236 0.79 PER2 (0.69) PER2CRY1CRY2TSHR
SCHEMBL15380504 0.78 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15380849 0.78 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15380660 0.77 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL15380160 0.77 PER2 (1.00) PER2CRY1CRY2TSHR
SCHEMBL20462271 0.75 PER2 (0.62) PER2CRY1CRY2TSHR
SCHEMBL20462141 0.75 PER2 (0.64) 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
EP-2855458-B1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS RESET THERAPEUTICS INC (US) 2018-08-08 EP disclosed