SCHEMBL8112666

SCHEMBL8112666

COc1cccc(C2C(C#N)=C(N)Oc3c2ccc2ncccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ MYB P10242 11/20 0.57
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.51
▸ MAPT P10636 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL8111856 0.87 POLB (0.73) MAPK1MYBPOLBRAB9AKDM4E
SCHEMBL4324927 0.85 MYB (0.72) HSD17B10MAPK1MYBPOLBRAB9A
SCHEMBL8117453 0.85 MAPT (0.52) HSD17B10MYBPOLBRAB9AKDM4E
SCHEMBL8118633 0.84 POLB (0.77) HSD17B10MAPK1MYBPOLBRAB9A
SCHEMBL8538963 0.83 MYB (0.80) MYBRAB9AKDM4EMAPTL3MBTL1
SCHEMBL31237961 0.83 MYB (0.80) MYBRAB9AKDM4EMAPTL3MBTL1
SCHEMBL8112822 0.82 MYB (0.58) HSD17B10MYBPOLBRAB9AKDM4E
SCHEMBL4319288 0.81 TUBB4A (0.67) MYBPOLBRAB9ANPC1
SCHEMBL8117263 0.81 MYB (0.61) HSD17B10MAPK1MYBPOLBRAB9A
SCHEMBL4425533 0.81 MAPK1 (0.57) HSD17B10MAPK1MYBRAB9AKDM4E

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
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