SCHEMBL4575246

SCHEMBL4575246

O=S(=O)(NC1CCN(Cc2nc(C3(c4ccc(Cl)cc4)CC3)no2)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
HTR1A P08908 6/20 0.49
HTR7 P34969 6/20 0.49
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
CCR3 P51677 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CCR1 P32246 1/20 0.40
ICAM1 P05362 1/20 0.40

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
SCHEMBL8224526 0.91 CCR3 (0.53) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL4574665 0.91 KMT2A (0.55) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL8226396 0.90 KMT2A (0.51) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL4574616 0.89 KMT2A (0.50) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL8220554 0.88 CCR3 (0.52) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL8223152 0.88 KMT2A (0.60) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL4575185 0.87 KMT2A (0.59) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL8221253 0.85 KMT2A (0.47) HTTHTR1AHTR7KMT2AALDH1A1
SCHEMBL4574581 0.79 MEN1 (0.53) HTTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL8223148 0.77 PKM (0.47) HTTKMT2AALDH1A1MEN1CCR3

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
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO claimed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO disclosed