SCHEMBL9545554

SCHEMBL9545554

C=CCc1[c]ccc(Br)c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
XDH P47989 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21045005 0.83 GABRA1 (0.39) XDHGAAMAPTKMT2A
SCHEMBL2161704 0.78 XDH (0.44) XDHLMNAGAAMAPTALOX12
SCHEMBL8415107 0.76 XDH (0.31) XDH
SCHEMBL8415124 0.76 XDH (0.31) XDH
SCHEMBL5670666 0.76 XDH (0.38) XDHGAAMAPTKMT2A
SCHEMBL3263937 0.76 TP53 (0.32) XDHALOX12
SCHEMBL9808624 0.76 PTGDR (0.34) XDH
SCHEMBL8735132 0.76 HTT (0.33) KMT2A
SCHEMBL8521841 0.76 PTGS2 (0.35) GAA
SCHEMBL28130790 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105601908-A Water-soluble thiaxanthon-polyether visible light initiator and preparing method and application thereof UNIV WUHAN 2016-05-25 CN disclosed
WO-1993023398-A1 SUBSTITUTED PYRIDO[1,2-A]PYRIMIDINONE DERIVATIVES AS FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-25 WO disclosed