SCHEMBL4028629

SCHEMBL4028629

CCN(C(=O)O)c1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.65
BTK Q06187 10/20 0.38
EGFR P00533 3/20 0.38
CMKLR1 Q99788 3/20 0.37
MERTK Q12866 2/20 0.36
THRB P10828 1/20 0.36
PSMB5 P28074 1/20 0.35

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
SCHEMBL4028868 0.80 ESR1 (0.71) ESR1BTKEGFRCMKLR1
SCHEMBL4027904 0.79 ESR1 (1.00) ESR1BTKEGFRCMKLR1
SCHEMBL4030596 0.78 ESR1 (0.69) ESR1BTKEGFRCMKLR1
SCHEMBL4029342 0.78 ESR1 (0.69) ESR1BTKEGFRCMKLR1
SCHEMBL4025780 0.78 ESR1 (0.97) ESR1BTKEGFRCMKLR1MERTK
SCHEMBL4025902 0.78 ESR1 (0.65) ESR1BTKEGFRCMKLR1
SCHEMBL4030855 0.78 ESR1 (0.52) ESR1BTKEGFRCMKLR1MERTK
SCHEMBL4028037 0.78 ESR1 (0.61) ESR1BTKEGFRCMKLR1MERTK
SCHEMBL27573495 0.78 ESR1 (0.61) ESR1BTKEGFRMERTK
SCHEMBL4031188 0.76 ESR1 (0.72) ESR1BTKEGFRCMKLR1

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
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP claimed