SCHEMBL4611844

SCHEMBL4611844

Cc1nc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C/C=C/c3ccccc3)c(C(=O)N3CCCC3)cn2c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 5/20 0.36
TSHR P16473 4/20 0.36
MEN1 O00255 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 3/20 0.33
USP2 O75604 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4611846 1.00 ALDH1A1 (0.36) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL4600263 0.89 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL4600269 0.89 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRMEN1LMNA
SCHEMBL4600465 0.88 ALDH1A1 (0.36) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4600457 0.88 ALDH1A1 (0.36) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL4599481 0.87 MAPT (0.35) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL4600103 0.87 ALDH1A1 (0.34) ALDH1A1KDM4ERAB9AATP4AATP4B
SCHEMBL4599488 0.87 MAPT (0.35) ALDH1A1LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL4600936 0.86 JAK2 (0.34) ALDH1A1LMNAKDM4EPOLBATP4A
Hydrochloric Acid SCHEMBL4600901 0.82 ALDH1A1 (0.40) ALDH1A1KMT2ATSHRMEN1LMNA

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