SCHEMBL14705447

SCHEMBL14705447

FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)cc3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.52
APP P05067 3/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PRF1 P14222 1/20 0.46
HSD17B1 P14061 5/20 0.44
HSD17B2 P37059 5/20 0.44
SNCA P37840 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL27961778 1.00 KIF11 (0.52) KIF11APPESR1ESR2PRF1
SCHEMBL14705469 0.98 KIF11 (0.50) KIF11APPESR1ESR2PRF1
SCHEMBL25165734 0.95 KIF11 (0.54) KIF11APPESR1ESR2PRF1
SCHEMBL28473667 0.91 KIF11 (0.68) KIF11HSD17B1HSD17B2ALDH1A1TSHR
SCHEMBL14703090 0.89 KIF11 (0.43) KIF11APPESR1ESR2PRF1
SCHEMBL6820638 0.88 IKBKB (0.43) KIF11APPESR1ESR2PRF1
SCHEMBL14703088 0.88 KIF11 (0.42) KIF11APPESR1ESR2PRF1
SCHEMBL8521914 0.85 SNCA (0.52) KIF11APPESR1ESR2PRF1
SCHEMBL9428728 0.85 KIF11 (0.52) KIF11APPPRF1
SCHEMBL5050187 0.85 KIF11 (0.47) KIF11PRF1ALDH1A1

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
US-20130037843-A1 LIGHT EMITTING TRANSISTOR NATIONAL UNIVERSITY CORPORATION KYOTO INSTITUTE OF TECHNOLOGY (JP) 2013-02-14 US disclosed