SCHEMBL20450132

SCHEMBL20450132

OC(CN1CCCCS1)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.63
▸ BACE1 P56817 1/20 0.61
▸ PER2 O15055 13/20 0.59
▸ CRY1 Q16526 6/20 0.57
▸ CRY2 Q49AN0 6/20 0.57
▸ KDM4E B2RXH2 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ ATM Q13315 1/20 0.53
▸ RAD52 P43351 1/20 0.52

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
SCHEMBL20450206 1.00 POLB (0.63) POLBBACE1PER2CRY1CRY2
SCHEMBL20450177 1.00 POLB (0.63) POLBBACE1PER2CRY1CRY2
SCHEMBL15530023 0.96 BACE1 (0.63) POLBBACE1PER2CRY1CRY2
SCHEMBL15530620 0.96 BACE1 (0.63) POLBBACE1PER2CRY1CRY2
SCHEMBL20450183 0.96 BACE1 (0.63) POLBBACE1PER2CRY1CRY2
SCHEMBL20450192 0.82 PER2 (0.61) POLBBACE1PER2CRY1CRY2
SCHEMBL20450163 0.82 CRY2 (0.61) PER2CRY1CRY2
SCHEMBL20450195 0.82 CRY2 (0.62) PER2CRY1CRY2
SCHEMBL20450207 0.80 CRY2 (0.64) PER2CRY1CRY2
SCHEMBL20450198 0.79 CRY2 (0.67) PER2CRY1CRY2

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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