SCHEMBL9201731

SCHEMBL9201731

O=C(O)CC(C[N+](=O)[O-])c1occ2cc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.35
GABBR1 Q9UBS5 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
NFKB1 P19838 1/20 0.35
DRD3 P35462 1/20 0.35
BLM P54132 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 2/20 0.32

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
SCHEMBL9315810 0.85 TP53 (0.36) LMNAMEN1KMT2ACYP2C9CYP3A4
SCHEMBL9202387 0.83 GABBR2 (0.51) GABBR2GABBR1LMNAMEN1KMT2A
SCHEMBL9201733 0.76 ALOX5 (0.43) GABBR2GABBR1LMNAMEN1KMT2A
SCHEMBL657859 0.75 HSD17B10 (0.39) GABBR2GABBR1LMNAMEN1KMT2A
SCHEMBL9315762 0.73 MAPT (0.35) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL9988481 0.72 GABBR2 (0.61) GABBR2GABBR1LMNAMEN1KMT2A
SCHEMBL27725190 0.72 GABBR2 (0.61) GABBR2GABBR1LMNAMEN1KMT2A
SCHEMBL21686411 0.72 GABBR2 (0.61) GABBR2GABBR1LMNAMEN1KMT2A
SCHEMBL9315930 0.71 MAPT (0.34) LMNAMEN1KMT2ACYP2C9CYP1A2
SCHEMBL9315021 0.70 KDM4E (0.38) LMNACYP2C19MAPTHTTALDH1A1

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
EP-0463969-B1 New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them ADIR (FR) 1995-02-08 EP disclosed
EP-0463969-A1 New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them ADIR ET COMPAGNIE (FR) 1992-01-02 EP disclosed