SCHEMBL6654561

SCHEMBL6654561

CC(=O)NCCCN[C@H]1CCN(c2c(-c3ccccc3)c(C)c(C#N)c3nc4ccccc4n23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 4/20 0.44
PRF1 P14222 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41
MDM2 Q00987 1/20 0.41
GLA P06280 2/20 0.41

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
SCHEMBL6310386 0.90 BRD4 (0.44) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6311656 0.90 KDM4E (0.51) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6312393 0.84 KDM4E (0.46) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6311786 0.84 ALDH1A1 (0.47) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6314470 0.83 ALDH1A1 (0.50) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6311931 0.79 ALDH1A1 (0.48) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6310825 0.78 ALDH1A1 (0.52) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6311934 0.78 ALDH1A1 (0.47) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL6654992 0.77 ALDH1A1 (0.56) ALDH1A1HPGDTSHRCASP1CASP7
Formic Acid SCHEMBL6310674 0.76 ALDH1A1 (0.46) ALDH1A1HPGDTSHRCASP1CASP7

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-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed