SCHEMBL9316764

SCHEMBL9316764

NCC(CC(=O)O)c1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
LOXL2 Q9Y4K0 1/20 0.56
GABBR2 O75899 2/20 0.51
GABBR1 Q9UBS5 2/20 0.51
HPGD P15428 4/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
APEX1 P27695 1/20 0.47
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
CSNK1D P48730 1/20 0.45
NCS1 P62166 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL6912351 0.82 PKM (0.54) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL6177984 0.80 PKM (0.75) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL15149247 0.79 LOXL2 (0.63) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL2856934 0.79 HPGD (0.56) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL25832641 0.79 LOXL2 (0.59) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL11243380 0.79 PKM (0.54) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL8088125 0.79 LOXL2 (0.67) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL9443162 0.78 LOXL2 (0.54) PKMLOXL2HPGDHSD17B10CYP1A2
SCHEMBL6177774 0.77 PKM (0.77) PKMALOX5SMN1; SMN2ALDH1A1KMT2A
SCHEMBL30944811 0.77 PKM (0.52) PKMLOXL2HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278166-A 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5214063-A 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed