SCHEMBL8335104

SCHEMBL8335104

COc1ccc(CN2C(=O)C(c3c[nH]c4ccc(O)cc34)=C(c3c[nH]c4ccc(OC)cc34)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
DRD2 P14416 4/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
KDR P35968 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
MITF O75030 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CASP3 P42574 1/20 0.43
NPC1 O15118 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
SCHEMBL8335507 0.93 SIRT2 (0.56) HTR1ADRD2SIRT2KDRMEN1
SCHEMBL8322554 0.82 SIRT2 (0.74) HTR1ADRD2SIRT2KDRMEN1
SCHEMBL9375258 0.78 SIRT2 (0.49) HTR1ADRD2SIRT2KDRMEN1
SCHEMBL14459912 0.77 HTR1A (0.44) HTR1ADRD2SIRT2KDRMEN1
SCHEMBL7198405 0.76 SIRT2 (0.60) HTR1ASIRT2KDRMEN1LMNA
SCHEMBL8323398 0.73 SIRT2 (0.59) HTR1ADRD2SIRT2KDRMEN1
SCHEMBL28101300 0.72 SIRT2 (0.58) HTR1ADRD2SIRT2KDRMEN1
SCHEMBL8354023 0.72 LMNA (0.50) HTR1ADRD2MEN1LMNAMAPT
SCHEMBL31667405 0.71 CASP3 (0.58) CASP3
SCHEMBL7816070 0.71 CDK4 (0.78) SIRT2KDRMEN1MAPTKMT2A

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
WO-2004048384-A1 N,N-BRIDGED, NITROGEN-SUBSTITUTED CARBACYCLIC INDOLOCARBAZOLES AS PROTEIN KINASE INHIBITORS NAD AG (DE) 2004-06-10 WO disclosed