SCHEMBL7545396

SCHEMBL7545396

O=C(Nc1ccc(C(=O)NCc2ccccc2)cc1)Nc1ccccc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
HTT P42858 1/20 0.62
HDAC6 Q9UBN7 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 1/20 0.57
PPARG P37231 1/20 0.57
NAMPT P43490 5/20 0.53
HDAC1 Q13547 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CA2 P00918 1/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL5595039 0.84 CXCR1 (0.59) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL27953196 0.82 CFD (0.67) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL5188558 0.81 RAB9A (0.78) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL17744942 0.79 HDAC6 (0.68) LMNARAB9AHDAC6HDAC2HDAC8
SCHEMBL8746726 0.79 MEN1 (1.00) MEN1KMT2ALMNARAB9ANPC1
SCHEMBL12336152 0.78 NAMPT (0.77) MEN1KMT2AHTTNAMPTHDAC1
SCHEMBL11900090 0.77 HDAC6 (0.85) LMNARAB9AHDAC6HDAC2HDAC8
SCHEMBL16286257 0.76 KMT2A (0.66) MEN1KMT2ALMNAHTTNAMPT
SCHEMBL8042301 0.76 HDAC6 (0.77) KMT2ALMNARAB9AHDAC6HDAC2
SCHEMBL18601428 0.75 KMT2A (0.68) MEN1KMT2ALMNARAB9ANPC1

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