SCHEMBL8068382

SCHEMBL8068382

CSC(=N)NN(C(N)=O)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CCR6 P51684 1/20 0.39
PAX8 Q06710 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ABCB1 P08183 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL8063405 0.81 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8063402 0.81 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8065764 0.76 AKT1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8065760 0.76 AKT1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8063733 0.75 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL8063731 0.75 ALDH1A1 (0.44) ALDH1A1MAPTHPGDSMN1; SMN2CCR6
SCHEMBL3228005 0.74 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCCR6PAX8
SCHEMBL1484730 0.74 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRCA12CA1
SCHEMBL27445566 0.73 SMN1; SMN2 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2TSHR
SCHEMBL3254015 0.72 ALDH1A1 (0.51) ALDH1A1MAPTHPGDCCR6PAX8

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-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