SCHEMBL30873709

SCHEMBL30873709

O=C(Nc1c(C(=O)O)oc2ccc(Cl)cc12)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
MAPK1 P28482 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
MCL1 Q07820 1/20 0.50
GRM4 Q14833 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 0.47
KDR P35968 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
GRM5 P41594 2/20 0.44
MAPT P10636 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL13699830 0.89 KDM4E (0.65) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL29827495 0.81 KDM4E (0.71) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL29827647 0.81 KDM4E (0.64) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL29827757 0.81 KDM4E (0.60) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL13700089 0.80 KDM4E (0.52) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29827625 0.79 KDM4E (0.61) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL4926041 0.78 KDM4E (1.00) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL29827374 0.77 KDM4E (0.69) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL29827612 0.77 KDM4E (0.73) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL4251178 0.76 ALDH1A1 (0.72) KDM4EMAPK1MEN1KMT2AALDH1A1

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
CN-114773302-B Benzofuran derivative and medical application thereof 中国药科大学 2024-04-02 CN disclosed