SCHEMBL4013512

SCHEMBL4013512

COC(=O)Cc1ccc2c(c1)CN(S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
AKR1C3 P42330 3/20 0.50
RAB9A P51151 1/20 0.50
OPRK1 P41145 2/20 0.49
PKM P14618 4/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3941072 0.87 MEN1 (0.60) KMT2AMEN1AKR1C3OPRK1PKM
SCHEMBL4011991 0.83 MEN1 (0.64) KMT2AMEN1AKR1C3OPRK1PKM
SCHEMBL4011625 0.81 MEN1 (0.64) KMT2AMEN1AKR1C3OPRK1PKM
SCHEMBL4012429 0.78 MEN1 (0.54) KMT2AMEN1AKR1C3RAB9APKM
SCHEMBL4016490 0.78 MEN1 (0.60) KMT2AMEN1AKR1C3OPRK1PKM
SCHEMBL4012085 0.76 AKR1C3 (0.73) KMT2AMEN1AKR1C3
SCHEMBL20424528 0.75 CYP2D6 (0.48) KMT2ARAB9AOPRK1MAPTTSHR
SCHEMBL14366673 0.75 PKM (0.44) KMT2AMEN1RAB9APKMMAPT
SCHEMBL4017920 0.75 PKM (0.44) KMT2APKMMAPTTSHRALDH1A1
SCHEMBL30278456 0.74 PKM (0.61) KMT2AMEN1AKR1C3PKMMAPT

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