SCHEMBL9701735

SCHEMBL9701735

COP(=O)(CC(c1cnc2cc3ccccc3cc2n1)C(N)C(=O)OCc1ccccc1)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.35
LAP3 P28838 2/20 0.35
KYNU Q16719 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
HPGDS O60760 1/20 0.34
SLC15A1 P46059 1/20 0.32
NMT1 P30419 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 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
SCHEMBL9700628 0.89 LAP3 (0.36) LTA4HLAP3MEN1HTTKMT2A
SCHEMBL9701731 0.72 LTA4H (0.38) LTA4HLAP3SLC15A1
SCHEMBL9700735 0.69 CYP1A2 (0.48) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL27705770 0.66 ALDH1A1 (0.53) LTA4HLAP3SLC15A1ALDH1A1MEN1
SCHEMBL21189194 0.65 ALDH1A1 (0.45) LTA4HLAP3KYNUSLC15A1ALDH1A1
SCHEMBL21189144 0.65 ALDH1A1 (0.45) LTA4HLAP3KYNUSLC15A1ALDH1A1
SCHEMBL17878731 0.64 ALDH1A1 (0.55) LTA4HLAP3SLC15A1ALDH1A1MEN1
SCHEMBL13302682 0.64 ALDH1A1 (0.55) LTA4HLAP3SLC15A1ALDH1A1MEN1
SCHEMBL12053128 0.64 ALDH1A1 (0.55) LTA4HLAP3SLC15A1ALDH1A1MEN1
SCHEMBL8232952 0.64 ALDH1A1 (0.55) LTA4HLAP3SLC15A1ALDH1A1MEN1

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