SCHEMBL20100706

SCHEMBL20100706

Fc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccc(F)cc5)ccc4-3)c3cc(N(c4ccccc4)c4ccc(F)cc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(F)cc4)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.33
CRHBP P24387 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL20100715 0.93 PDK2 (0.33) PDK2
SCHEMBL20100726 0.92 PDK2 (0.41) PDK2KDM4EMAPTKMT2AMEN1
SCHEMBL29351796 0.91 ALDH1A1 (0.45) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL51709 0.91 ALDH1A1 (0.45) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL29359907 0.91 ALDH1A1 (0.45) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL20100724 0.90 PDK2 (0.35) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL14073186 0.89 PDK2 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL16996419 0.88 MEN1 (0.39) PDK2KDM4EMAPTKMT2AMEN1
SCHEMBL808117 0.88 PDK2 (0.46) PDK2
SCHEMBL19886943 0.88 PDK2 (0.40) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180122587-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed
US-20180122587-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed