SCHEMBL9700628

SCHEMBL9700628

NC(C(=O)OCc1ccccc1)C(CP(=O)(O)O)c1cnc2cc3ccccc3cc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.36
LTA4H P09960 1/20 0.36
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
DPP4 P27487 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL9701735 0.89 LTA4H (0.35) LAP3LTA4HKMT2AMEN1HTT
SCHEMBL9700735 0.78 CYP1A2 (0.48) KMT2AMEN1CYP1A2SMN1; SMN2HTT
SCHEMBL9700620 0.70
SCHEMBL28796023 0.69 LAP3 (0.49) LAP3KMT2AANPEP
SCHEMBL6432522 0.69 LAP3 (0.49) LAP3KMT2AANPEP
SCHEMBL28789803 0.64 ALDH1A1 (0.47) LAP3KMT2AANPEP
SCHEMBL17878731 0.64 ALDH1A1 (0.55) LAP3LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL12053128 0.64 ALDH1A1 (0.55) LAP3LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL13302682 0.64 ALDH1A1 (0.55) LAP3LTA4HSLC1A3SLC1A2SLC1A1
SCHEMBL8232952 0.64 ALDH1A1 (0.55) LAP3LTA4HSLC1A3SLC1A2SLC1A1

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
WO-1992014740-A1 QUINOXALINE PHOSPHONO-AMINO ACIDS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-03 WO disclosed
US-5118675-A Therapy for central nervous system disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed