SCHEMBL5048866

SCHEMBL5048866

O=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(CN(O)Cc2cccc(Oc3ccccc3)c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
POLB P06746 1/20 0.46
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45

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 0.94 MEN1 (0.48) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5045506 0.89 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1854184 0.88 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5044795 0.88 MEN1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5044933 0.85 LMNA (0.46) SMN1; SMN2
SCHEMBL1855303 0.84 PTGES (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5047697 0.82 NAAA (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1856112 0.82 MEN1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1857111 0.79 MEN1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5047813 0.79 MEN1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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