SCHEMBL20682148

SCHEMBL20682148

Cn1c(=O)c(C(=O)c2cccc(S(=O)(=O)O)c2)c2c3c(c(Nc4ccc([SH](=O)=O)cc4[SH](=O)=O)ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.46
PABPC1 P11940 3/20 0.41
MEN1 O00255 11/20 0.39
KMT2A Q03164 11/20 0.39
POLB P06746 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
MAPT P10636 8/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NR4A1 P22736 1/20 0.36
MAPK1 P28482 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 6/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 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
SCHEMBL20682118 0.90 MAP3K5 (0.54) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL141394 0.85 MAP3K5 (0.50) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808504 0.84 MAP3K5 (0.48) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL20682073 0.83 MEN1 (0.36) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL17808497 0.83 MAP3K5 (0.47) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808473 0.83 MAP3K5 (0.47) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL13993026 0.82 MAP3K5 (0.51) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL20682157 0.82 MAP3K5 (0.59) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL11893259 0.82 MAP3K5 (0.46) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808474 0.82 MAP3K5 (0.46) MAP3K5PABPC1MEN1KMT2APOLB

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-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed