SCHEMBL7158692

SCHEMBL7158692

O=C(NCCc1ccc(Oc2ccccc2)cc1)c1cc(Br)c(C[N]Cc2ccccc2-c2ccccc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.43
KLK7 P49862 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX2 P34913 3/20 0.41
LTA4H P09960 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 1/20 0.40
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL1855243 0.83 MEN1 (0.41) MEN1KMT2APOLBKLK7NPC1
SCHEMBL5044120 0.81 MEN1 (0.42) MEN1KMT2APOLBKLK7NPC1
SCHEMBL5048609 0.78 MEN1 (0.46) MEN1KMT2APOLBKLK7NPC1
SCHEMBL6022062 0.77 MEN1 (0.53) MEN1KMT2APOLBKLK7NPC1
SCHEMBL5047813 0.77 MEN1 (0.46) MEN1KMT2APOLBKLK7NPC1
SCHEMBL1857107 0.75 MEN1 (0.44) MEN1KMT2APOLBKLK7NPC1
SCHEMBL5044001 0.75 MEN1 (0.42) MEN1KMT2APOLBKLK7NPC1
SCHEMBL6022041 0.74 NPC1 (0.47) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4315038 0.74 MEN1 (0.44) MEN1KMT2AKLK7NPC1RAB9A
SCHEMBL5044851 0.74 MAPK14 (0.49) SMN1; SMN2EPHX2HDAC2HDAC3HDAC1

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed