SCHEMBL6746018

SCHEMBL6746018

O=C(O)c1ccccc1C1=CC(=O)N(N2C(=O)CC(S(=O)(=O)O)C2=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
LPAR2 Q9HBW0 3/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 2/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30
APAF1 O14727 1/20 0.30
TDP2 O95551 1/20 0.30
CASP3 P42574 1/20 0.30
KMT2A Q03164 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL4739568 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL896334 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1GAAMAPTTSHR
SCHEMBL5576207 0.64 PKM (0.40) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL9479020 0.63 MT-CO2 (0.50) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL4407911 0.61
SCHEMBL21167217 0.60 ALDH1A1 (0.38) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL29209330 0.59 BACE1 (0.59) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL30028907 0.58 ALDH1A1 (0.72) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL36145 0.58 ALDH1A1 (0.72) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL31530628 0.57 GSK3B (0.40)

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-20040014240-A1 Molecule detecting sensor ASAHI KASEI KABUSHUKI KAISHA (JP) 2004-01-22 US disclosed