SCHEMBL14102004

SCHEMBL14102004

COc1cc(OC)cc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2cc(C)n3CCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
F2 P00734 1/20 0.36
MAPT P10636 6/20 0.34
MAPK1 P28482 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NOTUM Q6P988 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL4765735 0.90 F10 (0.36) F10F2
SCHEMBL4765719 0.90 F10 (0.36) F10F2
SCHEMBL14101995 0.87 F10 (0.38) F10F2MAPTMAPK1HTT
SCHEMBL14101773 0.82 F10 (0.40) F10F2MAPTMAPK1HTT
SCHEMBL14101715 0.82 AR (0.38) F10F2MAPTMAPK1HTT
SCHEMBL4724288 0.81 F10 (0.40) F10F2MAPTNPSR1CYP3A4
SCHEMBL4724195 0.81 F10 (0.42) F10F2MAPTMAPK1HTT
SCHEMBL14101716 0.80 AR (0.36) F10F2MAPTMAPK1HTT
SCHEMBL4722495 0.80 F10 (0.44) F10F2MAPTMAPK1HTT
SCHEMBL4722822 0.79 F2 (0.37) F10F2MAPTMAPK1HTT

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