SCHEMBL5498436

SCHEMBL5498436

Cc1cc(Cl)c(F)c(Oc2ccccc2C#N)c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.47
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
SLC22A12 Q96S37 8/20 0.39
EZH2 Q15910 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
ADRB2 P07550 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIN1 Q13526 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.77 AR (0.51) ARPOLBGAASLC22A12EZH2
SCHEMBL31415661 0.74 GAA (0.47) ARPOLBGAASLC22A12EZH2
SCHEMBL28625665 0.70 AR (0.61) ARPOLBGAASLC22A12EZH2
SCHEMBL5498981 0.70 AR (0.50) ARPOLBGAASLC22A12EZH2
SCHEMBL5507928 0.70 POLB (0.50) ARPOLBGAAEZH2TSHR
SCHEMBL18181841 0.69 AR (0.60) ARPOLBGAASLC22A12EZH2
SCHEMBL7054403 0.69 GAA (0.64) ARPOLBGAASLC22A12TSHR
SCHEMBL24540615 0.68 PIN1 (0.46) ARPOLBGAASLC22A12LMNA
SCHEMBL7025384 0.68 SLC22A12 (0.41) ARPOLBGAASLC22A12EZH2
SCHEMBL4175396 0.68 SLC22A12 (0.39) ARSLC22A12TSHRKDM4EMEN1

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 disclosed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 WO disclosed