SCHEMBL28834767

SCHEMBL28834767

COC(=O)c1[nH]c2c(OC)cccc2c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.58
ALDH1A1 P00352 10/20 0.58
GAA P10253 6/20 0.58
HPGD P15428 6/20 0.58
MAPT P10636 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
MCL1 Q07820 2/20 0.58
HTT P42858 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
TSHR P16473 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GLA P06280 1/20 0.57
LMNA P02545 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 4/20 0.51
HSD17B10 Q99714 3/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL5220303 0.75 KDM4E (0.66) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL31019418 0.75 KDM4E (0.66) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL7218658 0.75 NR4A2 (0.59) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL701263 0.74 KDM4E (1.00) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL4779330 0.72 GAA (0.59) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL1548445 0.72 KDM4E (0.52) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL28325027 0.71 KDM4E (0.62) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL5327857 0.70 GAA (0.56) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL8794998 0.70 GAA (0.58) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL28025010 0.70 GAA (0.53) KDM4EALDH1A1GAAHPGDMAPT

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-115028644-A SOS1 inhibitor heterocyclic compounds 首药控股(北京)股份有限公司 2022-09-09 CN disclosed