SCHEMBL9879567

SCHEMBL9879567

[O-][n+]1cccc2cnncc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3854510 0.75 KDM4E (0.37) KDM4EATMLMNAHTT
SCHEMBL5800131 0.75 TNF (0.34) KDM4EATMLMNAHTTPOLB
SCHEMBL9531 0.72 ATM (0.48) ATM
SCHEMBL7900240 0.70 HTT (0.42) KDM4EATMLMNAHTTPOLB
Water SCHEMBL5786021 0.70 ATM (0.46) ATM
Hydrochloric Acid SCHEMBL7370284 0.70 BCHE (0.50)
SCHEMBL3730208 0.68 ATM (0.40) ATMLMNAHTTMAPT
SCHEMBL14742904 0.67 ATM (0.54) KDM4EATMLMNAHTTMAPT
SCHEMBL7102910 0.67 ATM (0.33) KDM4EATMLMNAHTTTDP1
SCHEMBL13979159 0.66 HTT (0.39) KDM4EATMLMNAHTTTDP2

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
US-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 US disclosed