SCHEMBL4016490

SCHEMBL4016490

N#CCc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
AKR1C3 P42330 3/20 0.48
OPRK1 P41145 2/20 0.43
PKM P14618 3/20 0.43
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 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
SCHEMBL4011991 0.84 MEN1 (0.64) MEN1KMT2AAKR1C3OPRK1PKM
SCHEMBL4011625 0.84 MEN1 (0.64) MEN1KMT2AAKR1C3OPRK1PKM
SCHEMBL3941072 0.81 MEN1 (0.60) MEN1KMT2AAKR1C3OPRK1PKM
SCHEMBL4013512 0.78 KMT2A (0.55) MEN1KMT2AAKR1C3OPRK1PKM
SCHEMBL10282809 0.78 KMT2A (0.68) MEN1KMT2AAKR1C3PKMESR2
SCHEMBL723811 0.78 MEN1 (0.68) MEN1KMT2AAKR1C3PKMESR2
SCHEMBL3088744 0.75 PKM (0.44) MEN1KMT2AAKR1C3OPRK1PKM
SCHEMBL4012085 0.75 AKR1C3 (0.73) MEN1KMT2AAKR1C3
SCHEMBL14287576 0.70 HRH3 (0.81) MEN1KMT2AHRH3
SCHEMBL25073106 0.69 MEN1 (0.59) MEN1KMT2AAKR1C3PKMESR2

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