SCHEMBL5045119

SCHEMBL5045119

N#CC1=C(N)Oc2cc(O)c(O)cc2C1c1cc(F)c(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
CASP6 P55212 1/20 0.56
MYB P10242 1/20 0.53
MAPT P10636 8/20 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 5/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.50
GFER P55789 1/20 0.50
ESR2 Q92731 1/20 0.50
NPSR1 Q6W5P4 7/20 0.49
HTT P42858 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 2/20 0.48
PKM P14618 1/20 0.48
MPO P05164 1/20 0.46

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
SCHEMBL15363767 0.82 ALDH1A1 (0.67) MEN1KMT2ACASP6MYBMAPT
SCHEMBL4537545 0.71 MYB (0.45) MEN1KMT2AMYBMAPTKDM4E
SCHEMBL5959230 0.69 NPC1 (0.81) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL5045714 0.69 MYB (1.00) MEN1KMT2AMYBMAPTKDM4E
SCHEMBL4325650 0.69 MEN1 (0.65) MEN1KMT2AMYBMAPTKDM4E
SCHEMBL4535802 0.67 ALDH1A1 (0.55) MEN1KMT2ACASP6MYBMAPT
SCHEMBL15364100 0.67 MYB (0.48) MEN1KMT2AMYBMAPTKDM4E
SCHEMBL4325759 0.65 MEN1 (0.83) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL5959438 0.65 NPC1 (1.00) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL5959401 0.64 MEN1 (0.79) MEN1KMT2AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638025-B1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM DKFZ (DE) 2020-02-05 EP disclosed
EP-2638026-B1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM DKFZ (DE) 2018-07-11 EP disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012062905-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed