SCHEMBL4019486

SCHEMBL4019486

COC(=O)Cc1cccc(-c2cn(S(C)(=O)=O)c3ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
BRD4 O60885 3/20 0.43
SCN9A Q15858 1/20 0.43
HTR6 P50406 3/20 0.41
DHODH Q02127 1/20 0.41
EGFR P00533 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
SLC7A5 Q01650 1/20 0.39
KMT2A Q03164 3/20 0.38

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
SCHEMBL4013799 0.88 HTR6 (0.59) HPGDMAPTTSHRHTR6L3MBTL1
SCHEMBL3933164 0.87 KDM4E (0.48) HPGDMAPTTSHRBRD4SCN9A
SCHEMBL4007511 0.85 L3MBTL1 (0.50) HPGDMAPTTSHRHTR6DHODH
SCHEMBL4018010 0.85 HTR6 (0.50) HPGDMAPTTSHRHTR6L3MBTL1
SCHEMBL4012211 0.76 HTR6 (0.54) HPGDMAPTTSHRHTR6L3MBTL1
SCHEMBL4016525 0.75 HTR6 (0.53) HPGDMAPTTSHRHTR6L3MBTL1
SCHEMBL4016754 0.75 L3MBTL1 (0.54) HTR6L3MBTL1KMT2AMEN1LMNA
SCHEMBL4014015 0.75 HTR6 (0.66) HTR6L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL3361035 0.74 SLC7A5 (0.54) HPGDMAPTTSHRDHODHSMN1; SMN2
SCHEMBL4011279 0.73 L3MBTL1 (0.69) HTR6L3MBTL1SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490001-A Substituted phenylacetic acids as DP-2 antagonists ICOS CORP (US) 2009-07-22 CN disclosed
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