SCHEMBL5507928

SCHEMBL5507928

Cc1c(Cl)cccc1Oc1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
AR P10275 6/20 0.47
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIN1 Q13526 2/20 0.42
TSHR P16473 1/20 0.41
EPAS1 Q99814 1/20 0.40
GCK P35557 1/20 0.40
EZH2 Q15910 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
SCN9A Q15858 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ERBB3 P21860 1/20 0.37
ERBB4 Q15303 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL6177741 0.81 AR (0.51) POLBGAAARLMNAADRB2
SCHEMBL5498981 0.80 AR (0.50) POLBGAAARLMNAADRB2
SCHEMBL13970688 0.80 EPAS1 (0.49) EPAS1NR1I2HSD11B1
SCHEMBL7054403 0.80 GAA (0.64) POLBGAAARSMN1; SMN2PIN1
SCHEMBL4173770 0.79 GAA (0.51) POLBGAAARLMNAADRB2
SCHEMBL102325 0.78 TSHR (0.48) GAAARTSHR
SCHEMBL8431375 0.78 GAA (0.62) POLBGAAARSMN1; SMN2PIN1
SCHEMBL4438697 0.77 AR (0.50) ARLMNASMN1; SMN2TSHREPAS1
SCHEMBL28625665 0.77 AR (0.61) POLBGAAARSMN1; SMN2PIN1
Hydrochloric Acid SCHEMBL16792416 0.75 GAA (0.45) POLBGAAARSMN1; SMN2PIN1

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-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP claimed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 WO claimed