SCHEMBL3928702

SCHEMBL3928702

O=C(O)Cc1cc(Cl)cc(C(c2ccccc2)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
CYP3A5 P20815 2/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CACNA2D1 P54289 2/20 0.51
CACNA1B Q00975 2/20 0.51
CACNB1 Q02641 2/20 0.51
USP2 O75604 2/20 0.50
CYP2C9 P11712 2/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 2/20 0.48
CYP2D6 P10635 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1C Q13936 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL3925079 0.87 MEN1 (0.64) CYP3A4CYP3A5KMT2AMEN1ALDH1A1
SCHEMBL5795313 0.83 MEN1 (0.69) CYP3A4CYP3A5KMT2AMEN1ALDH1A1
SCHEMBL3927533 0.80 CYP3A4 (0.52) CYP3A4CYP3A5KMT2AMEN1ALDH1A1
SCHEMBL3930627 0.80 ALDH1A1 (0.55) CYP3A4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3929081 0.80 ALDH1A1 (0.55) CYP3A4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3927929 0.80 GAA (0.56) CYP3A4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3619665 0.79 CYP3A4 (0.80) CYP3A4CYP3A5KMT2AMEN1ALDH1A1
SCHEMBL5251683 0.78 CYP3A4 (0.73) CYP3A4CYP3A5KMT2AMEN1ALDH1A1
SCHEMBL3622047 0.76 CYP3A4 (0.76) CYP3A4CYP3A5KMT2AMEN1ALDH1A1
SCHEMBL3933976 0.76 MEN1 (0.58) CYP3A4CYP3A5KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP claimed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO claimed
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 WO disclosed