SCHEMBL4014002

SCHEMBL4014002

O=S(=O)(c1ccc(F)cc1)n1cc(B(O)O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
KDM4E B2RXH2 1/20 0.52
UBE2N P61088 1/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C1 Q04828 1/20 0.48
ALDH3A1 P30838 1/20 0.48
PLK1 P53350 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL819444 0.88 LMNA (0.62) HTR6KDM4EUBE2NLMNASMN1; SMN2
SCHEMBL29737165 0.88 LMNA (0.62) HTR6KDM4EUBE2NLMNASMN1; SMN2
SCHEMBL29402217 0.87 KDM4E (0.68) HTR6KDM4EUBE2NLMNASMN1; SMN2
SCHEMBL1723740 0.87 KDM4E (0.68) HTR6KDM4EUBE2NLMNASMN1; SMN2
SCHEMBL15757279 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL17394583 0.86 HTR6 (0.57) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL4012220 0.84 HTR6 (0.61) HTR6KDM4EUBE2NLMNASMN1; SMN2
SCHEMBL14637084 0.80 PTGDR2 (0.49) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL30542061 0.79 KDM4E (0.77) HTR6CYP3A4CYP2D6KDM4EUBE2N
SCHEMBL946340 0.79 KDM4E (0.77) HTR6CYP3A4CYP2D6KDM4EUBE2N

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
EP-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed