SCHEMBL21173502

SCHEMBL21173502

CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(F)cc(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
KCNH2 Q12809 2/20 0.33
BCHE P06276 2/20 0.32

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
SCHEMBL21173430 0.89 TSHR (0.42) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL26849302 0.88 GABRA1 (0.32) NPC1MAPTMAPK1RAB9AMEN1
SCHEMBL19268263 0.85 SMN1; SMN2 (0.48) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL21173428 0.83 KMT2A (0.37) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL6705565 0.82 TSHR (0.52) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL14163841 0.82 TSHR (0.52) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL13136660 0.82 TSHR (0.52) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL21173503 0.81 TSHR (0.40) TSHRNPC1MAPTMAPK1RAB9A
SCHEMBL15306163 0.78 KIF11 (0.39) NPC1RAB9AALDH1A1KIF11
SCHEMBL15158563 0.78 TSHR (0.50) TSHRNPC1MAPTMAPK1RAB9A

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-20190221375-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND OXIDE SEMICONDUCTOR ELECTRODE FUJIFILM CORPORATION (JP) 2019-07-18 US disclosed