SCHEMBL28888486

SCHEMBL28888486

Cc1ccc(N2CCN(C(=O)c3cc4c(s3)SCCC4=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 3/20 0.44
THRB P10828 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
NR4A1 P22736 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1C3 P42330 1/20 0.41
HTT P42858 3/20 0.41
LYPLA2 O95372 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL28394262 0.89 L3MBTL1 (0.43) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL28394808 0.89 GAA (0.51) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL28397524 0.89 ALDH1A1 (0.46) L3MBTL1LMNAMAPTALDH1A1MEN1
SCHEMBL28393540 0.89 KMT2A (0.55) LMNAMAPTALDH1A1TP53MEN1
SCHEMBL28888853 0.88 L3MBTL1 (0.60) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL28393810 0.86 MEN1 (0.50) LMNAMAPTALDH1A1TP53MEN1
SCHEMBL28396474 0.86 HTT (0.51) LMNAMAPTALDH1A1TP53THRB
SCHEMBL28392254 0.86 MAPT (0.42) L3MBTL1LMNAMAPTALDH1A1KDM4E
SCHEMBL28396249 0.83 MAPT (0.56) LMNAMAPTALDH1A1TP53MEN1
SCHEMBL28348405 0.82 HRH4 (0.47) LMNAMAPTALDH1A1KDM4ETP53

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