SCHEMBL9256009

SCHEMBL9256009

CCCOC(OCC)C(=O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KLK7 P49862 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 1/20 0.45
METAP2 P50579 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL25336398 0.82 KLK7 (0.56) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL4561864 0.81 HDAC2 (0.54) HDAC2MEN1KMT2AHPGDALDH1A1
SCHEMBL4561508 0.78 POLB (0.56) MEN1KMT2AALDH1A1SMN1; SMN2KLK7
SCHEMBL11382012 0.76 MAPT (0.54) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL29006055 0.76 HDAC2 (0.58) HDAC2MEN1KMT2AHPGDTSHR
SCHEMBL11089459 0.75 KLK7 (0.52) HDAC2MEN1KMT2ATSHRALDH1A1
SCHEMBL7638637 0.75 LMNA (0.55) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL1754848 0.74 POLB (0.55) HDAC2MEN1KMT2AHPGDTSHR
SCHEMBL5509053 0.74 ALDH1A1 (0.52) HDAC2MEN1KMT2AALDH1A1KLK7
SCHEMBL11642274 0.74 HDAC2 (0.62) HDAC2MEN1KMT2AALDH1A1MAPT

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
EP-0649418-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES Astra Pharmaceuticals Limited (GB) 1995-04-26 EP disclosed
WO-1993024473-A1 7-(2-AMINOETHYL)-BENZOTHIAZOLONES FISONS PLC (GB) 1993-12-09 WO disclosed