SCHEMBL17808486

SCHEMBL17808486

Cc1ccc(C(=O)c2c3c4c(c(Nc5ccc(S(=O)(=O)O)cc5S(=O)(=O)O)ccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.43
PABPC1 P11940 3/20 0.42
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A1 P22736 1/20 0.37
USP2 O75604 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CNR2 P34972 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 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
SCHEMBL17808472 0.91 MAP3K5 (0.43) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL141394 0.91 MAP3K5 (0.50) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL12744414 0.91 MAP3K5 (0.54) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL16454202 0.90 MAP3K5 (0.42) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL16454201 0.89 MAP3K5 (0.48) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808473 0.88 MAP3K5 (0.47) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808497 0.88 MAP3K5 (0.47) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808471 0.88 MAP3K5 (0.47) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL13400398 0.87 PABPC1 (0.47) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808504 0.86 MAP3K5 (0.48) 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 3 patents. 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
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed