SCHEMBL16335166

SCHEMBL16335166

COc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccc(F)cc4F)cc3Cl)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.44
P2RY12 Q9H244 1/20 0.43
PIK3CA P42336 10/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
PIK3CG P48736 3/20 0.41
PI4KA P42356 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL16334563 0.88 PIK3CA (0.46) PIK3CAMAPTLMNATP53PIK3CD
SCHEMBL16335037 0.87 HTT (0.46) GUSBP2RY12MAPTLMNA
SCHEMBL16335417 0.86 ALPL (0.44) PIK3CALMNAPIK3CGPI4KA
SCHEMBL16335284 0.86 MEN1 (0.54) GUSBP2RY12MAPTLMNANPSR1
SCHEMBL16335125 0.85 ALPL (0.54) MAPTLMNATP53
SCHEMBL16335068 0.85 CYP3A4 (0.47) GUSBP2RY12MAPTLMNANPSR1
SCHEMBL1036460 0.84 PIK3CA (0.46) GUSBPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL16334725 0.83 BCL2A1 (0.47) GUSBP2RY12MAPTLMNA
SCHEMBL16335056 0.81 HTR7 (0.47) GUSBMAPTLMNANPSR1
SCHEMBL16334201 0.81 ALDH1A1 (0.58) GUSBMAPTLMNATP53NPSR1

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-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed