SCHEMBL28789166

SCHEMBL28789166

NCc1cccc(-n2nnc(C(=O)O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.49
LMNA P02545 1/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPK14 Q16539 1/20 0.40
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.37
FAAH O00519 1/20 0.36
CES1 P23141 1/20 0.36
ADORA2A P29274 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL27797715 0.85 KLKB1 (0.41) KLKB1LMNAMAPK14HPGDFAAH
SCHEMBL2211336 0.78 HPGD (0.53) LMNAHPGDADORA2AALDH1A1PKM
SCHEMBL4189968 0.78 MEN1 (0.48) LMNAADORA2AALDH1A1PKMGRM5
SCHEMBL15019980 0.78 NOTUM (0.43) MAPK14HPGDFAAHPKMGRM5
SCHEMBL27840071 0.76 KLKB1 (0.40) KLKB1LMNAMAPK14ADORA2ALOXL2
SCHEMBL27759677 0.74 KLKB1 (0.38) KLKB1LMNAMAPK14ENPP2LOXL2
SCHEMBL27818962 0.74 KLKB1 (0.38) KLKB1LMNAMAPK14ENPP2LOXL2
SCHEMBL27840078 0.74 KLKB1 (0.38) KLKB1LMNAMAPK14ENPP2LOXL2
SCHEMBL27988017 0.73 GRM5 (0.56) HPGDALDH1A1GRM5RAB9A
SCHEMBL27797713 0.73 ATM (0.47) KLKB1LMNAMAPK14HPGDLOXL2

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
CN-101896480-A Tetrazole derivatives as modulators of metabotropic glutamate receptors (MGLURS) ASTRAZENECA AB 2010-11-24 CN claimed