SCHEMBL4600316

SCHEMBL4600316

Cc1nc2c(N)c(CC=Cc3ccccc3)c(C(=O)O)cn2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ATP4A P20648 3/20 0.41
ATP4B P51164 3/20 0.41
HDAC2 Q92769 2/20 0.37
HDAC1 Q13547 2/20 0.37
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
GRM4 Q14833 1/20 0.34
P2RX3 P56373 1/20 0.34
CACNA1B Q00975 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4600310 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4600669 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4600664 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4601572 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4601568 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4600666 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4601067 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4600661 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC2
SCHEMBL4601062 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EATP4AATP4BHDAC2
Hydrochloric Acid SCHEMBL4600901 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EATP4AATP4BHDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718648-B1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF NYCOMED GMBH (DE) 2008-04-23 EP disclosed
EP-1718648-A1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF Altana Pharma AG (DE) 2006-11-08 EP disclosed
WO-2005077949-A1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF ALTANA PHARMA AG (DE) 2005-08-25 WO disclosed