SCHEMBL18965004

SCHEMBL18965004

CC(C)(C)c1ccc(N2C=CN(c3ccc(C(C)(C)C)cc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
LMNA P02545 3/20 0.42
TYR P14679 1/20 0.42
KIF11 P52732 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
HSD11B1 P28845 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL19506972 0.78 TSHR (0.46) TSHRLMNATYRKIF11HSD11B1
SCHEMBL223853 0.75 MAPT (0.42) TSHRLMNAALDH1A1GAAHTT
SCHEMBL20178041 0.73 HSD11B1 (0.57) TSHRLMNAHSD11B1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL820585 0.73 MAPT (0.41) TSHRLMNAALDH1A1GAAHTT
SCHEMBL16395723 0.73 HRH3 (0.35) TSHRLMNATYRKIF11HSD11B1
SCHEMBL424728 0.72 TSHR (0.73) TSHRLMNATYRKIF11ALDH1A1
SCHEMBL4794619 0.71 MAPK1 (0.46) TSHRLMNATYRKIF11HSD11B1
SCHEMBL19315291 0.71 MAPK1 (0.54) TSHRLMNATYRHSD11B1ALDH1A1
SCHEMBL12668409 0.71 TSHR (0.62) TSHRLMNATYRNR1H4HSD11B1
SCHEMBL4272763 0.70 LMNA (0.42) LMNAKMT2AMEN1MAPT

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-20170170420-A1 ORGANIC ELECTROLUMINESCENCE DEVICE CANON KABUSHIKI KAISHA (JP) 2017-06-15 US disclosed