SCHEMBL7855840

SCHEMBL7855840

O=c1c(O)c(C2=COC(Cc3ccccc3)O2)oc2ccc(NS(=O)(=O)c3ccc4c(c3)CNCC4)cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.42
HTR2C P28335 5/20 0.40
HTR2B P41595 3/20 0.40
HTR6 P50406 4/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
MLNR O43193 1/20 0.34
TP53 P04637 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
TPSAB1 Q15661 1/20 0.33

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
SCHEMBL7654281 0.84 HIF1A (0.45) TP53MAPTMEN1KMT2ATHRB
SCHEMBL7659448 0.84 TP53 (0.37) TP53MAPTMEN1KMT2ATHRB
SCHEMBL7657396 0.84 PTPN2 (0.41) TP53MAPTMEN1KMT2ATHRB
SCHEMBL7665046 0.84 HIF1A (0.42) TP53MAPTMEN1KMT2ATHRB
SCHEMBL7858188 0.83 TDP1 (0.45) TP53MAPTMEN1KMT2ATDP1
SCHEMBL7659818 0.83 PKM (0.36) TP53MAPTMEN1KMT2ATHRB
SCHEMBL7656711 0.82 HIF1A (0.44) TP53MAPTMEN1KMT2ATHRB
SCHEMBL7658172 0.82 HIF1A (0.44) TP53MAPTMEN1KMT2ATHRB
SCHEMBL7660123 0.81 HSPD1 (0.47) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7658431 0.79 LMNA (0.53) HTR6TP53MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109800-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LIMITED (KR) 2001-06-27 EP disclosed
WO-2000012496-A1 NOVEL CDK INHIBITORS HAVING FLAVONE STRUCTURE LG CHEMICAL LTD. (KR) 2000-03-09 WO disclosed