SCHEMBL7484160

SCHEMBL7484160

O=C(Nc1ccccc1Br)N(c1cccc(C(F)(F)F)c1O)N(C(=O)Nc1ccccc1Br)c1ccc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL7484157 0.81 CXCR2 (0.46) FABP4SMN1; SMN2KMT2AHTTNPC1
SCHEMBL5594997 0.74 SMN1; SMN2 (0.40) SMN1; SMN2TAS2R14L3MBTL1PDK1PDK2
SCHEMBL5594826 0.70 CXCR2 (0.57) KMT2AHTTNPC1RAB9AGAA
SCHEMBL3710835 0.70 HTT (0.56) SMN1; SMN2L3MBTL1PDK1PDK2PDK3
SCHEMBL6824698 0.66 HNF4A (0.35) FABP4ALDH1A1LMNAHDAC8HDAC6
SCHEMBL7490879 0.65 ALDH1A1 (0.52) FABP4ALDH1A1KMT2AKDM4EMEN1
SCHEMBL6823287 0.65 CXCR2 (0.60) SMN1; SMN2KMT2AHTTNPC1RAB9A
SCHEMBL14832613 0.64 HNF4A (0.48) FABP4PDK2ALDH1A1LMNAHDAC8
SCHEMBL6824149 0.64 CXCR2 (0.48) SMN1; SMN2L3MBTL1KMT2AHTTNPC1
SCHEMBL27535605 0.63 SMN1; SMN2 (0.39) SMN1; SMN2TAS2R14L3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896531-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP disclosed
EP-0896531-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-17 EP disclosed
WO-1997029743-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-21 WO disclosed