SCHEMBL11891998

SCHEMBL11891998

Cn1c(=O)c(C(=O)c2ccccc2)c2c3c(c(Nc4ccc(S(=O)(=O)O)c(N)c4)ccc31)C(=O)c1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.52
MAPT P10636 4/20 0.45
PABPC1 P11940 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A1 P22736 1/20 0.44
CYP1A2 P05177 3/20 0.42
TSHR P16473 1/20 0.42
PHLPP2 Q6ZVD8 2/20 0.41
GNG2 P59768 5/20 0.41
GNB1 P62873 5/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
P2RY4 P51582 2/20 0.38

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
SCHEMBL10033596 0.86 MAP3K5 (0.57) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL10098484 0.85 MAP3K5 (0.59) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL138484 0.84 MAP3K5 (0.65) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL15382965 0.84 HPGDS (0.48) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL14559159 0.84 MAP3K5 (0.61) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL12744414 0.83 MAP3K5 (0.54) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL16171761 0.83 MAP3K5 (0.42) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL12016082 0.83 CHAT (0.47) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL11893259 0.82 MAP3K5 (0.46) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1
SCHEMBL12016069 0.81 MAP3K5 (0.43) MAP3K5MAPTPABPC1SMN1; SMN2NR4A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8226222-B2 Ink set, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-07-24 US disclosed
US-20110032302-A1 INK SET, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-02-10 US disclosed