SCHEMBL5043725

SCHEMBL5043725

O=C(O)C(=O)NC(Cc1ccc2c(c1)OCO2)c1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 6/20 0.58
FAAH O00519 4/20 0.55
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.50
KLF5 Q13887 2/20 0.50
MAPT P10636 1/20 0.50
NAMPT P43490 1/20 0.49
PKM P14618 1/20 0.48
PAX8 Q06710 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL5039674 0.80 NPC1 (0.68) RAB9ANPC1FAAHKMT2ALMNA
SCHEMBL5039677 0.80 NPC1 (0.68) RAB9ANPC1FAAHKMT2ALMNA
SCHEMBL5045742 0.78 NPC1 (0.65) RAB9ANPC1FAAHKMT2ALMNA
SCHEMBL1858952 0.78 NPC1 (0.62) RAB9ANPC1FAAHKMT2ALMNA
SCHEMBL11717444 0.77 NPC1 (0.76) RAB9ANPC1FAAHKMT2ALMNA
SCHEMBL6023305 0.76 MEN1 (0.43) RAB9ANPC1KMT2AMAPT
SCHEMBL5048692 0.76 MEN1 (0.43) RAB9ANPC1KMT2AMAPT
SCHEMBL17822164 0.75 NPC1 (1.00) RAB9ANPC1KMT2ALMNAKLF5
SCHEMBL30666147 0.75 NPC1 (1.00) RAB9ANPC1KMT2ALMNAKLF5
SCHEMBL17892323 0.74 RAB9A (0.59) RAB9ANPC1FAAHKMT2ALMNA

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 disclosed