SCHEMBL2322229

SCHEMBL2322229

O=[C]Nc1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
STAT1 P42224 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.50
RET P07949 1/20 0.50
KDR P35968 1/20 0.50
NPY5R Q15761 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
TNIK Q9UKE5 3/20 0.47

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
SCHEMBL2320930 0.83 APP (0.62) RAB9ANPC1TNIK
SCHEMBL2321798 0.83 CDK1 (0.52) RAB9ANPC1ALPLALPIMAPT
SCHEMBL18366399 0.77 RAB9A (0.57) RAB9ANPC1ALPLALPIMAPT
SCHEMBL22761277 0.77 ALDH1A1 (0.61) RAB9ANPC1ALPLALPIMAPT
SCHEMBL2322234 0.76 RAB9A (0.56) RAB9ANPC1ALPLALPIMAPT
SCHEMBL6562826 0.76 NPC1 (1.00) RAB9ANPC1ALPLALPIMAPT
SCHEMBL13312208 0.75 APP (0.70) RAB9ANPC1ALPLALPIMAPT
SCHEMBL18434151 0.75 CHEK1 (0.67) RAB9ANPC1ALPLALPIMAPT
SCHEMBL1663611 0.73 NPC1 (0.89) RAB9ANPC1ALPLALPIMAPT
SCHEMBL15362053 0.73 RAB9A (0.55) RAB9ANPC1ALPLALPIMAPT

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
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed