SCHEMBL21296799

SCHEMBL21296799

CC(=O)Oc1cc(-c2ccccc2Nc2ccc(OCCN3CCCCC3)cc2)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
ESR2 Q92731 4/20 0.46
SRC P12931 1/20 0.44
MCHR1 Q99705 2/20 0.44
HRH3 Q9Y5N1 4/20 0.44
LTA4H P09960 2/20 0.44
HRH2 P25021 1/20 0.44
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
PTK2 Q05397 2/20 0.43
BRD4 O60885 1/20 0.42
JAK1 P23458 1/20 0.42
HDAC1 Q13547 1/20 0.42
FGFR1 P11362 1/20 0.42

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
SCHEMBL21296802 0.88 FLT3 (0.53) ESR1KDRFLT3ESR2MCHR1
SCHEMBL21296833 0.81 ESR1 (0.47) ESR1ESR2HRH3LTA4HHRH2
SCHEMBL21296747 0.79 KDR (0.53) KDRFLT3MCHR1LTA4HPSMB1
SCHEMBL21296824 0.76 KDR (0.58) KDRFLT3MCHR1HRH3LTA4H
SCHEMBL21296770 0.75 FLT3 (0.60) KDRFLT3MCHR1BRD4JAK1
SCHEMBL21296803 0.74 FLT3 (0.53) KDRFLT3MCHR1LTA4HPSMB1
SCHEMBL21296793 0.74 KDR (0.54) KDRFLT3MCHR1HRH3LTA4H
SCHEMBL21296788 0.74 FLT3 (0.54) KDRFLT3MCHR1LTA4HPSMB1
SCHEMBL21296762 0.72 FLT3 (0.52) KDRFLT3MCHR1HRH3LTA4H
SCHEMBL21296810 0.71 HRH3 (0.58) MCHR1HRH3

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
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO disclosed