SCHEMBL14101806

SCHEMBL14101806

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCCN3C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.40
F2 P00734 3/20 0.40
NOTUM Q6P988 2/20 0.34
LRRK2 Q5S007 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
APP P05067 2/20 0.32
AR P10275 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 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
SCHEMBL4724195 0.89 F10 (0.42) F10F2NOTUMPDE4APDE4B
SCHEMBL4722397 0.89 P2RX7 (0.37) F10F2
SCHEMBL4722405 0.89 P2RX7 (0.37) F10F2
SCHEMBL4722495 0.89 F10 (0.44) F10F2NOTUMPDE4APDE4B
SCHEMBL4724509 0.88 PDE4A (0.41) F10F2NOTUMPDE4APDE4B
SCHEMBL14101709 0.86 F10 (0.39) F10F2MAPTALPLALPI
SCHEMBL4720459 0.86 F10 (0.40) F10F2MAPT
SCHEMBL4724288 0.86 F10 (0.40) F10F2MAPT
SCHEMBL14101712 0.85 F10 (0.39) F10F2MAPTALPLALPI
SCHEMBL14101702 0.84 F10 (0.40) F10F2NOTUMPDE4APDE4B

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