SCHEMBL20450183

SCHEMBL20450183

O[C@@H](CN1CCCS1)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.63
▸ POLB P06746 1/20 0.61
▸ PER2 O15055 11/20 0.56
▸ CRY1 Q16526 8/20 0.56
▸ CRY2 Q49AN0 8/20 0.56
▸ ATM Q13315 1/20 0.55
▸ RAD52 P43351 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 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
SCHEMBL15530023 1.00 BACE1 (0.63) BACE1POLBPER2CRY1CRY2
SCHEMBL15530620 1.00 BACE1 (0.63) BACE1POLBPER2CRY1CRY2
SCHEMBL20450132 0.96 POLB (0.63) BACE1POLBPER2CRY1CRY2
SCHEMBL20450206 0.96 POLB (0.63) BACE1POLBPER2CRY1CRY2
SCHEMBL20450177 0.96 POLB (0.63) BACE1POLBPER2CRY1CRY2
SCHEMBL20450179 0.81 CRY2 (0.60) PER2CRY1CRY2
SCHEMBL20450152 0.81 CRY1 (0.60) BACE1POLBPER2CRY1CRY2
SCHEMBL20450148 0.81 CRY2 (0.60) PER2CRY1CRY2
SCHEMBL20450140 0.80 CRY2 (0.63) PER2CRY1CRY2
SCHEMBL20450173 0.80 PER2 (0.58) BACE1POLBPER2CRY1CRY2

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
Send feedback