SCHEMBL30152829

SCHEMBL30152829

CN(C(=O)OC(C)(C)C)c1cc(Cl)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.40
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.39
MT-CO2 P00403 1/20 0.37
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36

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
SCHEMBL7242976 1.00 FSCN1 (0.40) FSCN1GAAKMT2AABL1MT-CO2
SCHEMBL27782486 0.84 MGLL (0.40) KDM4E
SCHEMBL6700998 0.84 HTR6 (0.36) GAAKMT2AABL1ALDH1A1ALOX15
SCHEMBL29705150 0.82 KEAP1 (0.39) ABL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL20521554 0.82 KEAP1 (0.39) ABL1GABRA1GABRG2GABRB3GABRA5
SCHEMBL1592717 0.81 ALDH1A1 (0.39) GAAKMT2ACYP3A4ALDH1A1SMN1; SMN2
SCHEMBL14855345 0.81 AAK1 (0.36) GAAABL1AAK1BRD4PAX8
SCHEMBL6698787 0.80 AAK1 (0.33) GAAABL1AAK1BRD4PAX8
SCHEMBL27782494 0.78 EPAS1 (0.38)
SCHEMBL13311040 0.78 PAX8 (0.41) GAAKMT2ATSHRALDH1A1SMN1; SMN2

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
EP-3802549-B1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-03-01 EP disclosed