SCHEMBL8895981

SCHEMBL8895981

CCN(c1ccccc1)c1cc(C)n(C)c(=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.57
KMT2A Q03164 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
CASP7 P55210 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR3C2 P08235 1/20 0.41
APAF1 O14727 1/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 1/20 0.40
KDM5A P29375 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
Hydrochloric Acid SCHEMBL8894684 0.98 KDM4C (0.56) KDM4CKMT2AHSD17B10MEN1CASP1
SCHEMBL8894176 0.83 POLB (0.46) KDM4CKMT2AHSD17B10MEN1CASP1
Hydrochloric Acid SCHEMBL8892491 0.82 POLB (0.45) KDM4CKMT2AHSD17B10MEN1CASP1
SCHEMBL8893610 0.82 KDM4C (0.45) KDM4CKMT2AHSD17B10MEN1CASP1
SCHEMBL8893397 0.81 KDM4C (0.42) KDM4CKMT2AHSD17B10MEN1CASP1
Hydrochloric Acid SCHEMBL8893221 0.81 KDM4C (0.44) KDM4CKMT2AHSD17B10MEN1CASP1
SCHEMBL8892830 0.79 GAA (0.54) KDM4CKMT2AHSD17B10MEN1CASP1
SCHEMBL9594535 0.75 KDM4C (0.53) KDM4CKMT2AHSD17B10MEN1CASP1
SCHEMBL409370 0.73 NR3C2 (0.57) KDM4CHSD17B10NR3C2APAF1CASP3
SCHEMBL6567347 0.73 NR3C2 (0.57) KDM4CHSD17B10NR3C2APAF1CASP3

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
US-5654298-A QUARTERNARY SALTS OF 4-AMINO-SUBSTITUTED PYRIDINES; MODULATORS OF THE SINOATRIAL NODE; CARDIOTONIC AND BRADYCARDIA AGENTS; IMPERIAL CHEMICAL INDUSTRIES (GB) 1997-08-05 US disclosed
EP-0453197-B1 Amine derivatives ICI PLC (GB) 1994-06-15 EP disclosed
EP-0453197-A1 Amine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-23 EP disclosed