SCHEMBL28345522

SCHEMBL28345522

CC1(C)CC(=O)c2cc(C(=O)N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)sc2S1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 13/20 0.42
BAK1 Q16611 5/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 1/20 0.41
TACR3 P29371 1/20 0.41
HTR7 P34969 1/20 0.41
BCL2L1 Q07817 8/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28345520 0.88 LSS (0.46) TACR3KDM4EALDH1A1LMNA
SCHEMBL28346207 0.84 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL28401171 0.80 LMNA (0.45) KDM4EALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL28397526 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL28348392 0.75 HRH4 (0.48) KDM4EALDH1A1LMNAKMT2A
SCHEMBL28348407 0.73 MAOB (0.47) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL28396618 0.72 SMN1; SMN2 (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28393000 0.72 ADAMTS5 (0.45) ALDH1A1SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL28364424 0.72 POLB (0.45) KDM4EALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL1958329 0.71 HTR7 (0.55) BCL2BAK1HTR7BCL2L1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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