SCHEMBL20450192

SCHEMBL20450192

OC(CN1CCCCS1)Cn1c2cccc(F)c2c2c(F)cccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PER2 O15055 14/20 0.61
▸ CRY1 Q16526 12/20 0.61
▸ CRY2 Q49AN0 12/20 0.61
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL20450152 0.96 CRY1 (0.60) PER2CRY1CRY2POLBBACE1
SCHEMBL20450184 0.88 CRY2 (0.67) PER2CRY1CRY2
SCHEMBL20450198 0.88 CRY2 (0.67) PER2CRY1CRY2
SCHEMBL20450194 0.84 CRY2 (0.66) PER2CRY1CRY2
SCHEMBL20450168 0.84 CRY2 (0.66) PER2CRY1CRY2
SCHEMBL20450177 0.82 POLB (0.63) PER2CRY1CRY2POLBKDM4E
SCHEMBL20450206 0.82 POLB (0.63) PER2CRY1CRY2POLBKDM4E
SCHEMBL20450132 0.82 POLB (0.63) PER2CRY1CRY2POLBKDM4E
SCHEMBL15530620 0.78 BACE1 (0.63) PER2CRY1CRY2POLBKDM4E
SCHEMBL15530023 0.78 BACE1 (0.63) PER2CRY1CRY2POLBKDM4E

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 claimed
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