SCHEMBL5044795

SCHEMBL5044795

O=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(CN(O)Cc2ccccc2I)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP2 P08253 1/20 0.42
CA9 Q16790 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SNCA P37840 1/20 0.42
KLK7 P49862 1/20 0.41
MAPT P10636 3/20 0.41
HDAC2 Q92769 2/20 0.41

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
SCHEMBL5047455 0.91 MEN1 (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL1855929 0.90 MEN1 (0.43) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5048866 0.88 NPC1 (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5048610 0.87 MEN1 (0.46) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL5048609 0.87 MEN1 (0.46) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL1856112 0.81 MEN1 (0.46) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL1854760 0.80 MEN1 (0.46) MEN1KMT2ANPC1RAB9AKLK7
SCHEMBL5047697 0.80 NAAA (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1854184 0.78 NPC1 (0.46) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL1857111 0.78 MEN1 (0.45) MEN1KMT2APOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed