SCHEMBL28545938

SCHEMBL28545938

C#CCNCC(O)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 16/20 0.63
BACE1 P56817 1/20 0.60
PER2 O15055 1/20 0.58
CRY1 Q16526 1/20 0.58
CRY2 Q49AN0 1/20 0.58

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
SCHEMBL12858681 0.79 DNM1 (0.67) DNM1BACE1
SCHEMBL28590219 0.78 DNM1 (0.62) DNM1BACE1PER2CRY1CRY2
SCHEMBL410770 0.78 DNM1 (1.00) DNM1
SCHEMBL17138489 0.78 DNM1 (0.65) DNM1BACE1
SCHEMBL14889275 0.77 BACE1 (1.00) DNM1BACE1PER2
SCHEMBL13780682 0.74 DNM1 (0.64) DNM1BACE1PER2CRY1CRY2
SCHEMBL17138537 0.74 DNM1 (0.60) DNM1BACE1PER2CRY1CRY2
SCHEMBL17138550 0.74 DNM1 (0.60) DNM1BACE1PER2CRY1CRY2
SCHEMBL17138535 0.74 DNM1 (0.60) DNM1BACE1PER2CRY1CRY2
SCHEMBL408965 0.74 DNM1 (1.00) DNM1BACE1PER2CRY1CRY2

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-112592335-A Carbazole isopropanol diamine compound containing 1, 2, 3-triazole and preparation method and application thereof 贵州大学 2021-04-02 CN disclosed