SCHEMBL14101923

SCHEMBL14101923

C=C(C)/C=C\c1c(-c2cc(OC)cc(OC)c2)nn(-c2cc(N3CCCC3)ccc2C(F)(F)F)c(=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.34
F2 P00734 1/20 0.34
CTSC P53634 2/20 0.33
MAPT P10636 5/20 0.33
MAPK1 P28482 3/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
S1PR1 P21453 1/20 0.32
NOTUM Q6P988 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
P2RX7 Q99572 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14101773 0.85 F10 (0.40) F10F2MAPTMAPK1ALDH1A1
SCHEMBL4724195 0.78 F10 (0.42) F10F2MAPTMAPK1ALDH1A1
SCHEMBL4722495 0.78 F10 (0.44) F10F2MAPTMAPK1ALDH1A1
SCHEMBL4724509 0.77 PDE4A (0.41) F10F2MAPTHTTS1PR1
SCHEMBL14101715 0.77 AR (0.38) F10F2MAPTMAPK1ALDH1A1
SCHEMBL14102004 0.76 F10 (0.37) F10F2MAPTMAPK1ALDH1A1
SCHEMBL14101702 0.76 F10 (0.40) F10F2MAPTMAPK1ALDH1A1
SCHEMBL14101806 0.76 F10 (0.40) F10F2MAPTMAPK1ALDH1A1
SCHEMBL4722822 0.76 F2 (0.37) F10F2MAPTMAPK1ALDH1A1
SCHEMBL4724109 0.75 P2RX7 (0.40) F10F2NOTUMP2RX7

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