SCHEMBL25564920

SCHEMBL25564920

CC(C)(C)c1ccc(/N=N\c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56
SLC22A3 O75751 1/20 0.56
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
KIF11 P52732 2/20 0.42
MPI P34949 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL13632763 1.00 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL28652450 1.00 SLC22A2 (0.56) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL10415825 0.90 ALDH1A1 (0.57) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL30540412 0.88 GLB1 (0.52) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL19599172 0.86 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL18065437 0.85 SLC22A2 (0.54) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL26582828 0.85 SLC22A2 (0.48) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL13676635 0.84 PLAU (0.44) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL24517623 0.82 ELANE (0.43) SLC22A2SLC22A1SLC22A3TSHRLMNA
SCHEMBL24413595 0.82 KMT2A (0.44) SLC22A2SLC22A1SLC22A3TSHRLMNA

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-20230174680-A1 CYCLODEXTRIN-BASED POLYROTAXANES AND PROTEIN HYBRIDS AS THREE-DIMENSIONAL PRINTING INKS TRUSTEES OF DARTMOUTH COLLEGE (US) 2023-06-08 US disclosed