SCHEMBL5509491

SCHEMBL5509491

CC(C)(C(=O)c1cc2ccc(F)cc2[nH]1)c1ccc(Cl)cc1.O=C(c1cc2ccc(F)cc2[nH]1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.38
GPR183 P32249 2/20 0.36
ALOX15 P16050 5/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
AR P10275 2/20 0.35
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
IDO1 P14902 1/20 0.34
PDGFRB P09619 1/20 0.34
LGALS8 O00214 1/20 0.33
HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL5508907 0.86 FLT3 (0.46) FLT3GPR183ALOX15ARMEN1
SCHEMBL5508886 0.84 FLT3 (0.48) FLT3ARCNR2IDO1
SCHEMBL5510077 0.74 KDM4E (0.56) FLT3CNR2MEN1KMT2AHRH4
SCHEMBL8267962 0.70 HSD11B1 (0.40) FLT3GPR183ARCNR2IDO1
SCHEMBL22013201 0.69 FLT3 (0.55) FLT3ARMEN1KMT2ARXFP1
SCHEMBL29988822 0.68 CNR2 (0.65) FLT3CNR2HRH4IDO1PDGFRB
SCHEMBL5504683 0.68 GPR183 (0.45) FLT3GPR183ALOX15MEN1KMT2A
SCHEMBL5509098 0.67 FLT3 (0.65) FLT3MEN1KMT2APDGFRB
SCHEMBL5507378 0.64 FLT3 (0.56) FLT3CNR2HRH4PDGFRB
SCHEMBL5507170 0.64 PDGFRB (0.62) FLT3MEN1KMT2AHRH4PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed