SCHEMBL8063402

SCHEMBL8063402

CS/C(=N\C(=O)OCc1ccccc1)NN(C(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CCR6 P51684 1/20 0.36
PAX8 Q06710 1/20 0.36
PLAU P00749 1/20 0.36
TP53 P04637 1/20 0.36
ABCB1 P08183 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL8063405 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8063731 0.91 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8063733 0.91 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8065760 0.90 AKT1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8065764 0.90 AKT1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8058467 0.81 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2PLAUTP53
SCHEMBL8068382 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL31384524 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL13533438 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL858792 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6162925-A Antibiotic for methicillin resistant bacteria RESEARCH CORPORATION TECH., INC. (US) 2000-12-19 US disclosed
US-6110925-A EFFECTIVE AGAINST STAPHYLOCOCCUS; ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-08-29 US disclosed
EP-1003727-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES (US) 2000-05-31 EP disclosed
WO-1999007685-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-02-18 WO disclosed