SCHEMBL11489795

SCHEMBL11489795

CCN(CC)CC.CN(C(N)=O)c1cc(=O)n(-c2ccc(S(=O)(=O)O)cc2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 9/20 0.37
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN6 P29350 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31

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
SCHEMBL11805833 0.93 ALKBH5 (0.39) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL11493185 0.84 KDM4E (0.35) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL11494743 0.84 CYP2C19 (0.38) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL11638385 0.78 CYP2C19 (0.38) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL9330453 0.77 ALKBH5 (0.40) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL11494550 0.75 CYP2C19 (0.38) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL11489800 0.75 ALKBH5 (0.39) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL11494745 0.74 KDM4E (0.39) ALKBH5CYP2C19MAPTKMT2AALDH1A1
SCHEMBL11809310 0.74 ALKBH5 (0.33) ALKBH5
SCHEMBL11496040 0.72 KDM4E (0.43) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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-4188489-A Process for the production of 3-substituted amino-5-pyrazolones FUJI PHOTO FILM CO., LTD. (JP) 1980-02-12 — — US disclosed
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