SCHEMBL29448056

SCHEMBL29448056

CC(O)Cn1c2ccccc2c2cc(F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.53
▸ PER2 O15055 14/20 0.52
▸ CRY2 Q49AN0 14/20 0.52
▸ CRY1 Q16526 9/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ DNM1 Q05193 1/20 0.49

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
SCHEMBL28429472 1.00 BACE1 (0.53) BACE1PER2CRY2CRY1ALDH1A1
SCHEMBL28423589 0.92 CRY2 (0.58) PER2CRY2CRY1
SCHEMBL28425309 0.88 BACE1 (0.71) BACE1PER2CRY2CRY1DNM1
SCHEMBL29623019 0.88 BACE1 (0.71) BACE1PER2CRY2CRY1DNM1
SCHEMBL29622976 0.88 BACE1 (0.71) BACE1PER2CRY2CRY1DNM1
SCHEMBL29623035 0.85 PER2 (0.47) BACE1PER2CRY2CRY1ALDH1A1
SCHEMBL29623039 0.85 PER2 (0.47) BACE1PER2CRY2CRY1ALDH1A1
SCHEMBL11788371 0.85 BACE1 (0.70) BACE1PER2CRY2CRY1ALDH1A1
SCHEMBL30145436 0.85 BACE1 (0.70) BACE1PER2CRY2CRY1ALDH1A1
SCHEMBL28410416 0.84 DNM1 (0.62) PER2CRY2CRY1ALDH1A1DNM1

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-111217741-B Fluorine-substituted monocarbazole derivative, preparation method and application thereof 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2022-03-15 — — CN disclosed
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