SCHEMBL3414920

SCHEMBL3414920

O=C(O)Oc1cc2ccc(F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
FLT3 P36888 3/20 0.46
KDM4E B2RXH2 2/20 0.42
PDPK1 O15530 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIN1 Q13526 3/20 0.40
AR P10275 5/20 0.40
IDO1 P14902 1/20 0.39
ALB P02768 1/20 0.38
IL2 P60568 1/20 0.38
AHR P35869 1/20 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
SCHEMBL3414863 0.87 KDM4E (0.58) DAOFLT3KDM4EPDPK1ALDH1A1
SCHEMBL3411403 0.80 DAO (0.50) DAODDOFLT3KDM4EALDH1A1
SCHEMBL3381701 0.80 HRH4 (0.43) KDM4EAHR
SCHEMBL3418189 0.80 ALOX15 (0.52) DAOFLT3KDM4ELMNAHPGD
SCHEMBL1822936 0.79 EIF4A3 (0.40) DAOKDM4EPDPK1ALDH1A1LMNA
SCHEMBL1121871 0.79 NAAA (0.40) DAODDOFLT3KDM4E
SCHEMBL3420585 0.78 FLT3 (0.54) FLT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1833251 0.77 KDM4E (0.55) DAODDOFLT3KDM4EALDH1A1
SCHEMBL3003568 0.75 FLT3 (0.49) DAODDOFLT3KDM4EALDH1A1
SCHEMBL9234544 0.74 ALDH1A1 (0.39) KDM4EPDPK1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed