SCHEMBL4012085

SCHEMBL4012085

O=C(O)c1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 18/20 0.73
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
AKR1C1 Q04828 3/20 0.59
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL25073108 0.90 AKR1C3 (0.58) AKR1C3MEN1KMT2AAKR1C1HDAC6
SCHEMBL3280649 0.88 AKR1C3 (0.76) AKR1C3MEN1KMT2AAKR1C1
SCHEMBL3282209 0.88 AKR1C3 (0.67) AKR1C3MEN1KMT2AAKR1C1
SCHEMBL3282044 0.88 AKR1C3 (0.73) AKR1C3AKR1C1HDAC6
SCHEMBL3284957 0.88 AKR1C3 (0.73) AKR1C3AKR1C1
SCHEMBL3282023 0.87 HDAC6 (0.71) AKR1C3AKR1C1HDAC6
SCHEMBL3286988 0.86 AKR1C3 (0.73) AKR1C3MEN1KMT2AAKR1C1
SCHEMBL3282211 0.84 AKR1C3 (0.77) AKR1C3MEN1KMT2AAKR1C1
SCHEMBL3281251 0.84 AKR1C3 (0.76) AKR1C3AKR1C1
SCHEMBL4239496 0.83 AKR1C3 (0.76) AKR1C3MEN1KMT2AAKR1C1

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