SCHEMBL28348491

SCHEMBL28348491

CC1(C)CC(=O)c2cc(C(=O)C(Cl)(Cl)Cl)sc2S1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL28348917 0.82 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL28368246 0.81 GSK3B (0.41) ALDH1A1
SCHEMBL28397646 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28348392 0.74 HRH4 (0.48) KDM4EALDH1A1
SCHEMBL28345538 0.72 CA2 (0.47) KDM4EALDH1A1
SCHEMBL28401171 0.70 LMNA (0.45) KDM4EALDH1A1
SCHEMBL28346207 0.69 ALDH1A1 (0.52) KDM4EALDH1A1
SCHEMBL28397526 0.69 ALDH1A1 (0.49) ALDH1A1
SCHEMBL28400024 0.68 LMNA (0.43) KDM4EALDH1A1
SCHEMBL28348694 0.61 ALDH1A1 (0.34) KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586484-B Thienopyran carboxamides and their use 沈阳药科大学 2020-05-15 CN disclosed
CN-108822126-B Thienopyran formyl piperazine compound and medical application thereof 沈阳药科大学 2020-05-15 CN disclosed
CN-108822125-B 1- (thieno [2,3-b ] thiopyranoformyl) -4-aliphatic alkyl piperazine compound and medical application thereof 沈阳药科大学 2020-01-31 CN disclosed