SCHEMBL11548945

SCHEMBL11548945

O=C(O)c1cc2ccccc2nc1CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IKBKB O14920 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MGAM O43451 2/20 0.41
IDO1 P14902 1/20 0.40
GPR35 Q9HC97 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2552834 0.80 GABRP (0.50) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL634174 0.80 KDM4E (0.58) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL29248333 0.77 KDM4E (0.44) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL20087 0.76 PPARA (0.49) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL4058795 0.74 IKBKB (0.50) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL8807038 0.73 SMN1; SMN2 (0.56) KDM4EALDH1A1MEN1KMT2AIKBKB
Hydrochloric Acid SCHEMBL7450706 0.72 IKBKB (0.49) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL70017 0.72 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL31133499 0.72 IKBKB (0.51) KDM4EALDH1A1MEN1KMT2AIKBKB
SCHEMBL30034075 0.72 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2AIKBKB

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
US-4146625-A QUINOLONECARBOXYLIC ACIDS FOR CONTROL OF BACTERIAL DISEASES IN PLANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-03-27 US disclosed