SCHEMBL4060261

SCHEMBL4060261

CC(C)c1ccccc1Oc1ccc(NC(=O)c2c(Cl)cccc2Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
GRM8 O00222 1/20 0.46
GRM7 Q14831 1/20 0.46
GRM4 Q14833 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TYK2 P29597 4/20 0.44
HTR2C P28335 5/20 0.44
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2B P41595 2/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL4058761 0.88 HTR2C (0.48) POLBHTR2CMEN1CASP3KMT2A
SCHEMBL4061467 0.85 POLB (0.53) POLBGRM8GRM7GRM4SMN1; SMN2
SCHEMBL4059357 0.82 HTR2C (0.50) POLBGRM8GRM7GRM4SMN1; SMN2
SCHEMBL4069475 0.81 HTR2C (0.51) POLBSMN1; SMN2TYK2HTR2CKMT2A
SCHEMBL4061768 0.81 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL4061697 0.79 GRM8 (0.55) POLBGRM8GRM7GRM4TYK2
SCHEMBL4060750 0.79 POLB (0.50) POLBGRM8GRM7GRM4SMN1; SMN2
SCHEMBL4060887 0.78 POLB (0.49) POLBGRM8GRM7GRM4
SCHEMBL4062838 0.78 MAPT (0.56) POLBGRM8GRM7GRM4SMN1; SMN2
SCHEMBL4063185 0.76 POLB (0.54) POLBGRM8GRM7GRM4SMN1; SMN2

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
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed