SCHEMBL4751277

SCHEMBL4751277

Cc1cc(Oc2c(C3CC3)n[nH]c2I)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.40
ESRRA P11474 1/20 0.35
SLC22A12 Q96S37 1/20 0.33
SGK1 O00141 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
BCAT1 P54687 1/20 0.32
DRD1 P21728 1/20 0.31
FASN P49327 1/20 0.31

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
SCHEMBL4105432 0.88 AR (0.38) ARESRRASLC22A12SGK1HRH3
SCHEMBL4751633 0.86 AR (0.41) ARESRRASLC22A12
SCHEMBL4748718 0.84 PKM (0.35)
SCHEMBL4751257 0.80 P2RY12 (0.37) ARMRGPRX4
SCHEMBL4109832 0.80 ENPP3 (0.39) ARESRRASLC22A12HRH3DRD1
SCHEMBL4751664 0.80 RAPGEF4 (0.33)
SCHEMBL4748846 0.78 ESRRA (0.41) ARESRRASLC22A12MRGPRX4BCAT1
SCHEMBL4105299 0.74 AR (0.41) ARESRRASLC22A12
SCHEMBL4105032 0.72 LRRK2 (0.37) FASN
SCHEMBL4098122 0.71 PGR (0.44) HRH3FASN

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-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed