SCHEMBL24930834

SCHEMBL24930834

O=C(O)c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
P2RX4 Q99571 1/20 0.41
FOLH1 Q04609 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RORC P51449 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 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
SCHEMBL13018703 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL3663983 0.81 PTGER4 (0.46) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL986793 0.80 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL13133530 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL4400265 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
Nitrous Acid SCHEMBL28909360 0.77 KDM4C (0.48) KDM4EALDH1A1MAPT
SCHEMBL30232779 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL11992467 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTHTT
SCHEMBL20252383 0.76 POLB (0.41) KDM4EHPGDMAPTHTTPOLB
SCHEMBL4402486 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTHTTSMN1; SMN2

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