SCHEMBL30183702

SCHEMBL30183702

COC(=O)c1cc([N+](=O)[O-])c(C(C)(C(=O)OC)C(=O)OC)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
CYP2C19 P33261 2/20 0.40
POLB P06746 3/20 0.39
VCAM1 P19320 1/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL23578335 1.00 NPSR1 (0.53) NPSR1MEN1KMT2ATDP1KDM4E
SCHEMBL23577903 0.90 MEN1 (0.44) NPSR1MEN1KMT2ATDP1KDM4E
SCHEMBL30184001 0.90 MEN1 (0.44) NPSR1MEN1KMT2ATDP1KDM4E
SCHEMBL2903296 0.80 TDP1 (0.53) MEN1KMT2ATDP1KDM4EPDGFRB
SCHEMBL1786813 0.80 MEN1 (0.51) MEN1KMT2ATDP1KDM4EPDGFRB
SCHEMBL23577610 0.78 NPSR1 (0.47) NPSR1TDP1PDGFRBFGFR1PDGFRA
SCHEMBL23578020 0.78 MEN1 (0.41) NPSR1MEN1KMT2ATDP1KDM4E
SCHEMBL1786384 0.77 TDP1 (0.51) MEN1KMT2ATDP1KDM4EPDGFRB
SCHEMBL1788077 0.77 PDGFRB (0.55) NPSR1MEN1KMT2ATDP1KDM4E
SCHEMBL14809433 0.76 MEN1 (0.48) MEN1KMT2ATDP1KDM4EPDGFRB

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-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 CN disclosed