SCHEMBL4784301

SCHEMBL4784301

Clc1nc(Cl)nc(OC2CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.34
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
PTGS1 P23219 4/20 0.34
MCHR1 Q99705 2/20 0.33
LRRK2 Q5S007 2/20 0.32
CSNK2A1 P68400 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL19598395 0.96 PDGFRB (0.36) PDGFRBPDGFRAPDE4ALOXLOXL2
SCHEMBL11389109 0.96 PDGFRB (0.36) PDGFRBPDGFRAPDE4ALOXLOXL2
SCHEMBL22576502 0.89 ALDH1A1 (0.40) ALDH1A1ALOX15TSHR
SCHEMBL15029308 0.79 SYK (0.34) ALDH1A1ALOX15TSHRLRRK2
SCHEMBL9818545 0.79 JAK3 (0.39) PDGFRBPDGFRALOXLOXL2MCHR1
SCHEMBL9818488 0.79
SCHEMBL4812179 0.77 MEN1 (0.45) ALDH1A1
SCHEMBL9309427 0.75 PDGFRB (0.41) PDGFRBPDGFRALOXLOXL2PTGS1
SCHEMBL9862260 0.74 PDGFRB (0.36) PDGFRBPDGFRALOXLOXL2PTGS1
SCHEMBL1402181 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed
US-4086204-A LIGHT STABILIZERS CHIMOSA CHIMICA ORGANICA S.P.A. (IT) 1978-04-25 US disclosed