SCHEMBL28396249

SCHEMBL28396249

O=C1CCSc2sc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL28397524 0.89 ALDH1A1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28393540 0.89 KMT2A (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28393014 0.88 ALDH1A1 (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28391829 0.87 ALDH1A1 (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28397525 0.86 LMNA (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28396620 0.84 POLB (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28392977 0.83 NOTUM (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28888486 0.83 L3MBTL1 (0.45) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28394808 0.83 GAA (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28394262 0.83 L3MBTL1 (0.43) MAPTALDH1A1LMNAMEN1KMT2A

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-108822126-B Thienopyran formyl piperazine compound and medical application thereof 沈阳药科大学 2020-05-15 CN claimed
CN-108822126-B Thienopyran formyl piperazine compound and medical application thereof 沈阳药科大学 2020-05-15 CN disclosed