SCHEMBL17678533

SCHEMBL17678533

CCc1cccc(N(c2cccc(CC)c2)c2ccc3c(c2)C(CC)(CC)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.49
TP53 P04637 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
PMP22 Q01453 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
ELANE P08246 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17678559 0.98 SIGMAR1 (0.51) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL12640107 0.93 SIGMAR1 (0.38) SIGMAR1CYP2D6TSHRKMT2ALMNA
SCHEMBL14207068 0.92 SIGMAR1 (0.39) SIGMAR1CYP2D6TSHRKMT2ALMNA
SCHEMBL12640119 0.89 SIGMAR1 (0.36) SIGMAR1CYP2D6L3MBTL1ELANE
SCHEMBL19953885 0.89 SIGMAR1 (0.37) SIGMAR1MEN1MAPTKMT2AL3MBTL1
SCHEMBL12640108 0.88 SIGMAR1 (0.35) SIGMAR1MEN1MAPTKMT2ALMNA
SCHEMBL17678542 0.86 SIGMAR1 (0.37) SIGMAR1
SCHEMBL17678546 0.85 SIGMAR1 (0.36) SIGMAR1MEN1MAPTKMT2ATDP1
SCHEMBL17678534 0.83 SIGMAR1 (0.57) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL15138682 0.82 SIGMAR1 (0.40) SIGMAR1CYP2D6MEN1MAPTKMT2A

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-20160104843-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL FUJIFILM CORPORATION (JP) 2016-04-14 US disclosed
US-20160104843-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL FUJIFILM CORPORATION (JP) 2016-04-14 US disclosed