SCHEMBL2322002

SCHEMBL2322002

O=[C]c1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
PTGS1 P23219 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
PTGS2 P35354 2/20 0.46
FABP2 P12104 1/20 0.46
TSHR P16473 1/20 0.46
AKR1C4 P17516 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2815929 0.81 EGLN2 (0.46) LMNAPTGS1MEN1KMT2AMAPT
SCHEMBL11411945 0.81 PTGS1 (0.42) LMNAPTGS1MEN1KMT2AMAPT
SCHEMBL9303383 0.81 PTGS1 (0.42) LMNAPTGS1MEN1KMT2AMAPT
SCHEMBL19400433 0.74 MEN1 (0.50) LMNAPTGS1MEN1KMT2AMAPT
SCHEMBL14743162 0.74 DPP4 (0.37) LMNAPTGS1KMT2AMAPTCYP1A2
SCHEMBL28577877 0.74 GABRA1 (0.44) LMNAPTGS1MEN1KMT2AMAPT
SCHEMBL2149585 0.74 LMNA (0.50) LMNAPTGS1MEN1KMT2AMAPT
SCHEMBL2324271 0.73 KDM4E (0.40) LMNAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL19308493 0.73 KIF11 (0.54) PTGS1TSHRPDE3BPDE3AACLY
SCHEMBL18499494 0.73 KIF11 (0.54) PTGS1TSHRPDE3BPDE3AACLY

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