SCHEMBL9064095

SCHEMBL9064095

COC(=O)C1(c2ccc(CBr)cc2)CC=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.42
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KCNA3 P22001 1/20 0.32
ADRA1B P35368 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL9052687 0.90 HDAC4 (0.38) HDAC4HRH3ALDH1A1SMN1; SMN2ADRA1D
SCHEMBL480053 0.87 HRH3 (0.45) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL9044263 0.86 HDAC4 (0.44) HDAC4HRH3ALDH1A1SMN1; SMN2ADRA1D
SCHEMBL1407574 0.84 HRH3 (0.52) HDAC4HRH3ALDH1A1SMN1; SMN2MEN1
SCHEMBL9041397 0.84 HDAC4 (0.42) HDAC4HRH3ALDH1A1SMN1; SMN2ADRA1D
SCHEMBL16897482 0.81 ALDH1A1 (0.49) HRH3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9041943 0.81 HDAC9 (0.48) HRH3ALDH1A1SMN1; SMN2ADRA1DADRA1A
SCHEMBL5376177 0.78 HDAC4 (0.62) HDAC4ADRA1DADRA1AMEN1KMT2A
SCHEMBL9051092 0.77 HDAC4 (0.39) HDAC4HRH3ALDH1A1SMN1; SMN2ADRA1D
SCHEMBL9435952 0.76 HDAC4 (0.35) HDAC4HRH3ALDH1A1SMN1; SMN2ADRA1D

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994020498-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVE AS ANGIOTENSIN II RECEPTOR ANTAGONIST PFIZER INC. (US) 1994-09-15 WO claimed
US-5300668-A Certain esters of 1-(4-X-methylphenyl)cyclopent-3-ene-1-carboxylic acid, wherein X is a trialkylsilyloxy, bromo or hydroxy group, as intermediates PFIZER INC. (US) 1994-04-05 US claimed
EP-0690859-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1996-01-10 EP disclosed
WO-1994020499-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-09-15 WO disclosed
WO-1994020498-A1 BENZYLIMIDAZOPYRIDINE DERIVATIVE AS ANGIOTENSIN II RECEPTOR ANTAGONIST PFIZER INC. (US) 1994-09-15 WO disclosed
US-5300668-A Certain esters of 1-(4-X-methylphenyl)cyclopent-3-ene-1-carboxylic acid, wherein X is a trialkylsilyloxy, bromo or hydroxy group, as intermediates PFIZER INC. (US) 1994-04-05 US disclosed