SCHEMBL28394262

SCHEMBL28394262

O=C1CCSc2sc(C(=O)N3CCN(c4ccc(Br)cc4)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 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
MAPT P10636 9/20 0.42
KDM4E B2RXH2 1/20 0.42
AKR1C3 P42330 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
LYPLA2 O95372 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL28394808 0.89 GAA (0.51) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL28888486 0.89 L3MBTL1 (0.45) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL28397524 0.89 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL28393540 0.89 KMT2A (0.55) ALDH1A1KMT2AMEN1POLBNR4A1
SCHEMBL28393014 0.88 ALDH1A1 (0.45) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL28888853 0.86 L3MBTL1 (0.60) L3MBTL1ALDH1A1KMT2AMEN1TDP1
SCHEMBL28401000 0.86 ALDH1A1 (0.40) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL28396249 0.83 MAPT (0.56) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28348405 0.80 HRH4 (0.47) ALDH1A1KMT2AMAPTKDM4ELMNA
SCHEMBL28400986 0.80 HPGD (0.50) L3MBTL1ALDH1A1MAPTKDM4EHPGD

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