SCHEMBL4719264

SCHEMBL4719264

COCCNC(=O)CN1CCc2c(-c3cc(OC)cc(OC)c3)nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
F10 P00742 3/20 0.33
F2 P00734 1/20 0.33
SYK P43405 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 1/20 0.32
USP2 O75604 1/20 0.32
CXCR3 P49682 2/20 0.32
ABL1 P00519 1/20 0.32
MYC P01106 2/20 0.32
WDR5 P61964 2/20 0.32
NR1H2 P55055 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4719263 1.00 NOTUM (0.40) NOTUMMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4722851 0.94 F10 (0.33) NOTUMMEN1KMT2AF10F2
SCHEMBL4722850 0.94 F10 (0.33) NOTUMMEN1KMT2AF10F2
SCHEMBL4720061 0.94 F10 (0.33) NOTUMMEN1KMT2AF10F2
SCHEMBL4720066 0.94 F10 (0.33) NOTUMMEN1KMT2AF10F2
SCHEMBL4724059 0.93 KMT2A (0.34) NOTUMMEN1ALDH1A1KMT2AF10
SCHEMBL4724067 0.93 KMT2A (0.34) NOTUMMEN1ALDH1A1KMT2AF10
SCHEMBL4720070 0.93 F10 (0.34) NOTUMF10F2P2RX7CXCR3
SCHEMBL4720064 0.93 F10 (0.34) NOTUMF10F2P2RX7CXCR3
SCHEMBL4721098 0.93 F10 (0.33) NOTUMKMT2AF10F2P2RX7

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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed