SCHEMBL20682157

SCHEMBL20682157

Cn1c(=O)c(C(=O)c2ccccc2)c2c3c(c(Nc4ccccc4[SH](=O)=O)ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.59
PABPC1 P11940 3/20 0.49
MEN1 O00255 12/20 0.45
KMT2A Q03164 12/20 0.45
POLB P06746 6/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
MAPT P10636 9/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NR4A1 P22736 1/20 0.41
USP2 O75604 6/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPK1 P28482 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL20682118 0.92 MAP3K5 (0.54) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL138484 0.87 MAP3K5 (0.65) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17813950 0.85 MAP3K5 (0.57) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL14559159 0.84 MAP3K5 (0.61) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL20682148 0.82 MAP3K5 (0.46) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL10033596 0.81 MAP3K5 (0.57) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL12744414 0.81 MAP3K5 (0.54) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL10098484 0.80 MAP3K5 (0.59) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17808464 0.80 MAP3K5 (0.56) MAP3K5PABPC1MEN1KMT2APOLB
SCHEMBL17813940 0.80 MAP3K5 (0.53) 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