SCHEMBL8725838

SCHEMBL8725838

CCNc1cccc(Nc2[c]cccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 3/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRA2A P08913 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8725842 0.78 MAPT (0.47) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL343994 0.77
SCHEMBL3363357 0.76 MAPT (0.50) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL693995 0.75 RAPGEF4 (0.45) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL72023 0.74 HSD17B10 (0.50) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL2279440 0.74 MEN1 (0.46) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL6986651 0.74 MEN1 (0.53) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL7409504 0.74 HTR6 (0.44) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL7405571 0.74 TOP2A (0.49) MAPTMEN1KMT2AALDH1A1AR
SCHEMBL693983 0.71 IDH2 (0.54) EGFRMAPTMEN1KMT2AALDH1A1

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
EP-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed