SCHEMBL13734892

SCHEMBL13734892

NC(=O)c1c(F)ccc(OCCc2nc(Br)c(-c3ccc(C(F)(F)F)cc3)o2)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
PPARD Q03181 3/20 0.35
S1PR1 P21453 2/20 0.34
PPARA Q07869 5/20 0.34
PPARG P37231 4/20 0.34
PTPN1 P18031 2/20 0.33
CHEK2 O96017 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SCN9A Q15858 1/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL13733290 0.87 IKBKB (0.35) IKBKBPPARDS1PR1PPARAPPARG
SCHEMBL13732676 0.83 IKBKB (0.35) IKBKBPPARDPPARAPPARGPTPN1
SCHEMBL13732620 0.82 IKBKB (0.34) IKBKBPPARDPTPN1CHEK2SCN9A
SCHEMBL13733889 0.81 S1PR1 (0.40) IKBKBS1PR1PPARAPPARGCHEK2
SCHEMBL13733126 0.79 KMT2A (0.34) IKBKBSCN9A
SCHEMBL13732617 0.78 IKBKB (0.34) IKBKBPTPN1CHEK2SCN9A
SCHEMBL13734891 0.78 IKBKB (0.35) IKBKBPTPN1CHEK2TRPV1SCN9A
SCHEMBL15278210 0.77 PPARD (0.41) IKBKBPPARDPPARAPTPN1CHEK2
SCHEMBL13731883 0.76 PPARD (0.37) PPARDPPARAPPARGSCN9A
SCHEMBL13734283 0.76 IKBKB (0.34) IKBKBPPARDS1PR1PPARAPPARG

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-2699557-A1 AROMATIC AMIDES AND USES THEREOF Biota Scientific Management Pty Ltd (AU) 2014-02-26 EP claimed
WO-2012142671-A1 AROMATIC AMIDES AND USES THEREOF BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-10-26 WO claimed