SCHEMBL24930901

SCHEMBL24930901

O=C(O)c1cnc(-n2c3ccccc3c3ccccc32)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
LDHA P00338 1/20 0.42
MGAM O43451 1/20 0.41
P2RX4 Q99571 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
RORC P51449 2/20 0.40
P4HA1 P13674 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL24931088 0.80 KDM4E (0.61) ALDH1A1KDM4EPOLBHPGD
SCHEMBL13133557 0.77 KDM4E (0.46) ALDH1A1KDM4EPOLBL3MBTL1ATM
SCHEMBL15394887 0.76 KDM4E (0.56) ALDH1A1KDM4EPOLBL3MBTL1ATM
SCHEMBL30320753 0.75 MEN1 (0.46) KDM4ERORCMEN1KMT2A
SCHEMBL25372637 0.75 HTT (0.50) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL31097642 0.75 HTT (0.50) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL26004961 0.75 KDM4E (0.45) ALDH1A1KDM4EPOLBL3MBTL1ATM
SCHEMBL22926721 0.74 KDM4E (0.43) ALDH1A1KDM4EPOLBL3MBTL1ATM
SCHEMBL26271735 0.74 KDM4E (0.43) ALDH1A1KDM4EPOLBL3MBTL1ATM
SCHEMBL24930809 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBL3MBTL1ATM

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-20230036119-A1 QUANTUM DOTS WITH DONOR-ACCEPTOR LIGANDS NANOSYS, INC. 2023-02-02 US disclosed