SCHEMBL7015996

SCHEMBL7015996

CC(C)n1cnc2c(ccn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
USP7 Q93009 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CDK5 Q00535 5/20 0.39
CDK5R1 Q15078 5/20 0.39

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
SCHEMBL7018264 0.85 BCL6 (0.48) POLBTP53TDP1LMNAMAPK1
SCHEMBL7018397 0.84 MAPK1 (0.46) USP7TP53TDP1LMNAMAPK1
SCHEMBL7014196 0.83 MAPK1 (0.46) USP7MAPTTP53TDP1LMNA
SCHEMBL7019301 0.74 TP53 (0.45) MAPTTP53TDP1MAPK1ALDH1A1
SCHEMBL7020184 0.74 TP53 (0.44) HPGDPOLBMAPTTP53TDP1
SCHEMBL7018715 0.73 TP53 (0.48) MAPTTP53TDP1LMNAMAPK1
SCHEMBL7015123 0.73 LMNA (0.66) POLBTP53LMNAMAPK1KMT2A
SCHEMBL7017888 0.72 TP53 (0.47) MAPTTP53TDP1LMNAMAPK1
SCHEMBL7008873 0.71 TP53 (0.42) HPGDPOLBMAPTTP53TDP1
SCHEMBL7019303 0.71 TP53 (0.46) MAPTTP53TDP1MAPK1ALDH1A1

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-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed