SCHEMBL11638385

SCHEMBL11638385

CCN(CC)CC.CCOc1cc(=O)n(-c2ccc(S(=O)(=O)O)cc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ GAA P10253 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PTPN1 P18031 4/20 0.35
▸ PTPN6 P29350 4/20 0.35
▸ PTPN11 Q06124 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALKBH5 Q6P6C2 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MPL P40238 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL10444363 0.94 CYP2C19 (0.42) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL9836491 0.94 CYP2C19 (0.42) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL9330453 0.80 ALKBH5 (0.40) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL11489795 0.78 ALKBH5 (0.37) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL11494550 0.78 CYP2C19 (0.38) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL11496040 0.75 KDM4E (0.43) MAPTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL9330526 0.75 CYP2C19 (0.40) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL11489800 0.75 ALKBH5 (0.39) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL1734462 0.75 CYP2C19 (0.43) CYP2C19MAPTKMT2AGAAMEN1
SCHEMBL11494743 0.74 CYP2C19 (0.38) CYP2C19MAPTKMT2AGAAMEN1

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-4067738-A PYRAZOLONE DYES, OXAZOLINE DYES FUJI PHOTO FILM CO., LTD. 1978-01-10 — — US disclosed
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