SCHEMBL8488336

SCHEMBL8488336

CCN1CCN(CCCOc2cc(CNc3cn[nH]c(=O)c3Cl)ccc2OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
APAF1 O14727 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.41
SRC P12931 1/20 0.41
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
EHMT2 Q96KQ7 2/20 0.38
EHMT1 Q9H9B1 1/20 0.38

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
SCHEMBL7367149 0.91 POLB (0.54) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL8485725 0.90 KMT2A (0.53) POLBKMT2ASMN1; SMN2HTR1ADRD2
SCHEMBL9828492 0.87 KMT2A (0.64) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL9827887 0.86 KMT2A (0.63) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL9828399 0.86 KMT2A (0.66) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL7374617 0.85 KMT2A (0.54) POLBKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9827437 0.85 POLB (0.62) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL9828111 0.84 KMT2A (0.68) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL9828182 0.83 KMT2A (0.79) POLBKMT2ALMNAALDH1A1KDM4E
SCHEMBL7375489 0.80 KMT2A (0.55) POLBKMT2ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
EP-0706517-B1 PYRIDAZINONE DERIVATIVES WITH PHARMACEUTICAL ACTIVITY NISSAN CHEMICAL IND LTD (JP) 1998-10-21 EP disclosed