SCHEMBL5282610

SCHEMBL5282610

O=C(O)CNc1cccc(Oc2ccc(F)c(F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 6/20 0.58
PTGER2 P43116 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
PPARA Q07869 1/20 0.46
FFAR1 O14842 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
GRK3 P35626 3/20 0.44
HIF1A Q16665 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL5287709 0.85 ALDH1A1 (0.59) GRK2FFAR1MITFALDH1A1POLB
SCHEMBL5301594 0.82 GRK2 (0.57) GRK2FFAR1MITFALDH1A1POLB
SCHEMBL5284916 0.82 GRK2 (0.57) GRK2FFAR1MITFALDH1A1POLB
SCHEMBL5322943 0.81 GRK2 (0.60) GRK2PTGER2PPARAFFAR1HIF1A
SCHEMBL188668 0.78 RAB9A (0.50) FFAR1ALDH1A1POLBHTTHDAC4
SCHEMBL14384830 0.77 MTNR1A (0.57) ALDH1A1MAPK1HTT
SCHEMBL5285556 0.76 MTNR1A (0.61) GRK2MITFHTTGRK3GRK5
SCHEMBL3611216 0.75 ALDH1A1 (0.50) GRK2FFAR1ALDH1A1POLBHTT
SCHEMBL5413973 0.75 FFAR1 (0.51) GRK2FFAR1MITFALDH1A1POLB
SCHEMBL340537 0.75 AKR1C3 (0.55) ALDH1A1

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-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 WO disclosed