SCHEMBL8117263

SCHEMBL8117263

COc1cccc(C2C(C#N)=C(N)Oc3c2ccc2cnccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYB P10242 14/20 0.61
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
HTT P42858 1/20 0.52
CASP7 P55210 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL31237961 0.87 MYB (0.80) MYBKDM4EMAPTRAB9A
SCHEMBL8538963 0.87 MYB (0.80) MYBKDM4EMAPTRAB9A
SCHEMBL8113327 0.86 MYB (0.75) MYBKDM4EMAPTLMNAHPGD
SCHEMBL8808921 0.85 MAPT (0.53) MYBHSD17B10KDM4EMAPTNPC1
SCHEMBL8112346 0.82 MPO (0.56) MYBHSD17B10KDM4EMAPTNPC1
SCHEMBL8112666 0.81 HSD17B10 (0.57) MYBHSD17B10MAPK1KDM4EMAPT
SCHEMBL8118633 0.81 POLB (0.77) MYBHSD17B10MAPK1KDM4EMAPT
SCHEMBL9178595 0.81 MYB (0.61) MYBHSD17B10KDM4EMAPTNPC1
SCHEMBL8113346 0.81 MYB (0.77) MYBHSD17B10KDM4EMAPTNPC1
SCHEMBL4320517 0.81 TUBB4A (0.67) MYBNPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004584-A2 Pyranoquinoline derivatives as inhibitors of cell proliferation ELI LILLY AND COMPANY LIMITED (GB) 2000-05-31 EP disclosed
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