SCHEMBL14101773

SCHEMBL14101773

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c(C)c2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
F2 P00734 2/20 0.40
MAPT P10636 6/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NOTUM Q6P988 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
AR P10275 1/20 0.35
ACVR1 Q04771 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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 0.87 F10 (0.42) F10F2MAPTHTTMAPK1
SCHEMBL4724107 0.87 P2RX7 (0.40) F10F2NOTUM
SCHEMBL4724109 0.87 P2RX7 (0.40) F10F2NOTUM
SCHEMBL4722495 0.86 F10 (0.44) F10F2MAPTHTTMAPK1
SCHEMBL14101923 0.85 F10 (0.34) F10F2MAPTHTTMAPK1
SCHEMBL4724509 0.85 PDE4A (0.41) F10F2MAPTHTTNOTUM
SCHEMBL14101715 0.85 AR (0.38) F10F2MAPTHTTMAPK1
SCHEMBL14101806 0.84 F10 (0.40) F10F2MAPTHTTMAPK1
SCHEMBL4722822 0.84 F2 (0.37) F10F2MAPTHTTMAPK1
SCHEMBL14101702 0.84 F10 (0.40) F10F2MAPTHTTMAPK1

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