SCHEMBL6652586

SCHEMBL6652586

Cc1nc2ccccc2c(NCc2ccccc2)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
RAD52 P43351 2/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 2/20 0.55
PDE10A Q9Y233 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
APP P05067 3/20 0.49
ACHE P22303 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.47
GRM5 P41594 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
SCHEMBL7653573 0.91 APP (0.52) KMT2ARAD52POLBMEN1PDE10A
SCHEMBL9821131 0.90 KMT2A (0.59) KMT2ARAD52POLBMEN1PDE10A
Hydrochloric Acid SCHEMBL9821072 0.89 KMT2A (0.57) KMT2ARAD52POLBMEN1PDE10A
SCHEMBL7646678 0.88 KMT2A (0.61) KMT2ARAD52POLBMEN1SMN1; SMN2
SCHEMBL6658584 0.85 HSD17B10 (0.51) KMT2ARAD52POLBMEN1PDE10A
SCHEMBL9821213 0.82 HTT (0.52) KMT2ARAD52POLBMEN1SMN1; SMN2
SCHEMBL6650864 0.82 TP53 (0.51) KMT2ARAD52POLBMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL10567928 0.81 KMT2A (0.53) KMT2ARAD52POLBMEN1SMN1; SMN2
SCHEMBL7649849 0.80 KMT2A (0.55) KMT2ARAD52POLBMEN1SMN1; SMN2
SCHEMBL6652588 0.80 POLB (0.56) KMT2ARAD52POLBMEN1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218401-B1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE AVENTIS PHARMA GMBH (DE) 2004-06-16 EP disclosed
EP-1218401-A1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2002-07-03 EP disclosed
US-6339077-B1 FOR PROPHYLAXIS OR OF GALLSTONES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-15 US disclosed
WO-2001021642-A1 4-BENZYLAMINOQUINOLINE CONJUGATES WITH BILE ACID AND THEIR HETEROANALOGUES, METHODS FOR PRODUCING THE SAME, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-03-29 WO disclosed