SCHEMBL7664737

SCHEMBL7664737

CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccc(OC(F)(F)F)cc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ EPHX2 P34913 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ KMT2A Q03164 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HTT P42858 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
SCHEMBL7380201 0.89 EPHX2 (0.45) ALDH1A1EPHX2EPHX1KMT2ALMNA
SCHEMBL25429745 0.86 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAPKML3MBTL1
SCHEMBL1292014 0.84 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL2570325 0.82 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAPKML3MBTL1
SCHEMBL22578028 0.82 ALDH1A1 (0.52) ALDH1A1KMT2ALMNAPKMMEN1
SCHEMBL26159159 0.79 KMT2A (0.50) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL16723452 0.77 MAPT (0.43) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL7383036 0.75 CYP11B1 (0.49) KMT2ALMNAMEN1POLB
SCHEMBL10223586 0.73 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAPKML3MBTL1
SCHEMBL17158242 0.72 KCNN4 (0.50) ALDH1A1KMT2ALMNAMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 — — US disclosed
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