SCHEMBL5334515

SCHEMBL5334515

CC(C)(C)[SiH2]OC(C)(C)c1cc(-c2c(F)cccc2Cl)no1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.38
CHRNA4 P43681 6/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL5335652 0.91 KMT2A (0.40) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL5331361 0.77 CNR2 (0.38) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL6086455 0.72 L3MBTL1 (0.50) CHRNB2CHRNA4KMT2AMEN1ALDH1A1
SCHEMBL5775508 0.72 CHRNB2 (0.46) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL5334510 0.69 CHRNB2 (0.38) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL5820381 0.68 CHRNB2 (0.37) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL10520665 0.68 CHRNB2 (0.44) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL10519557 0.67 MAPT (0.45) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL6834291 0.67 L3MBTL1 (0.54) CHRNB2CHRNA4KMT2AMEN1MAPT
SCHEMBL5309057 0.66 NOTUM (0.51) CHRNB2CHRNA4KMT2AMAPTALDH1A1

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-2007034445-A2 NOVEL PIPERAZINE DERIVATIVES AS RENIN INHIBITORS FOR CARDIOVASCULAR EVENTS AND RENAL INSUFFICIENCY ACTELION PHARMACEUTICALS LTD (CH) 2007-03-29 WO disclosed