SCHEMBL6541748

SCHEMBL6541748

O=C(C=Cc1ccco1)Nc1ccc(-c2ccc(NC(=O)C=Cc3ccco3)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.74
MEN1 O00255 10/20 0.74
NPC1 O15118 9/20 0.74
RAB9A P51151 9/20 0.74
MAPT P10636 8/20 0.74
L3MBTL1 Q9Y468 7/20 0.74
POLB P06746 7/20 0.74
TDP1 Q9NUW8 6/20 0.74
SMN1; SMN2 Q16637 6/20 0.74
RECQL P46063 5/20 0.74
KDM4E B2RXH2 4/20 0.74
APEX1 P27695 1/20 0.74
ALDH1A1 P00352 5/20 0.67
HPGD P15428 1/20 0.67
THRB P10828 1/20 0.59
LMNA P02545 3/20 0.53
BLM P54132 2/20 0.53
TP53 P04637 2/20 0.52
TRPM2 O94759 1/20 0.52
HTT P42858 2/20 0.51

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
SCHEMBL6541745 1.00 KMT2A (0.74) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL13854024 0.90 KMT2A (0.74) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4024692 0.85 KMT2A (1.00) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4024688 0.85 KMT2A (1.00) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6037177 0.82 KMT2A (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6037174 0.82 KMT2A (0.66) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL31530568 0.75 RAB9A (0.77) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL31530581 0.75 RAB9A (0.77) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10981054 0.74 ALDH1A1 (1.00) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8290592 0.74 KMT2A (0.76) KMT2AMEN1NPC1RAB9AMAPT

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-1477475-A1 Compounds for use as a medicine increasing the contractility of a heart, a heart muscle or cells of a heart muscle Procorde GmbH (DE) 2004-11-17 EP disclosed