SCHEMBL9178595

SCHEMBL9178595

N#CC1=C(N)Oc2c(ccc3cnccc23)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYB P10242 14/20 0.61
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
HTT P42858 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.49
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8538170 0.85 MYB (0.82) MYBMAPTKDM4ELMNACYP1A2
SCHEMBL8113327 0.83 MYB (0.75) MYBMAPTKDM4ELMNAHPGD
SCHEMBL8112346 0.81 MPO (0.56) MYBMAPTKDM4ELMNAALDH1A1
SCHEMBL8117263 0.81 MYB (0.61) MYBMAPTKDM4ELMNAALDH1A1
SCHEMBL8113346 0.79 MYB (0.77) MYBMAPTKDM4ELMNAALDH1A1
SCHEMBL8112822 0.79 MYB (0.58) MYBMAPTKDM4ELMNAALDH1A1
SCHEMBL8112856 0.79 KDM4E (0.73) MYBMAPTKDM4ELMNAALDH1A1
SCHEMBL8808921 0.78 MAPT (0.53) MYBMAPTKDM4ELMNAALDH1A1
SCHEMBL8538804 0.76 MYB (0.84) MYBMAPTKDM4ELMNACYP1A2
SCHEMBL4320517 0.75 TUBB4A (0.67) MYBNPC1

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
US-5434160-A Autoimmune diseases; prevention of excess cell proliferation or enzyme release LILLY INDUSTRIES LIMITED (GB) 1995-07-18 US disclosed
EP-0599514-A2 Pyranoquinoline derivatives as inhibitors of cell proliferation LILLY INDUSTRIES LIMITED (GB) 1994-06-01 EP disclosed