SCHEMBL28685336

SCHEMBL28685336

Sc1c(Cl)ccc(Cl)c1S.Sc1c(Cl)ccc(Cl)c1S.[Ni]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
CYP2A6 P11509 3/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 5/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.37
AHR P35869 2/20 0.37
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL2159908 1.00 IDO1 (0.39) IDO1CYP2A6CYP1A2TSHRLMNA
SCHEMBL16291614 0.96 CYP2A6 (0.37) IDO1CYP2A6CYP1A2TSHRLMNA
SCHEMBL10778251 0.82 CYP3A4 (0.41) IDO1CYP2A6CYP1A2TSHRLMNA
SCHEMBL190658 0.77
SCHEMBL16307988 0.77 ALDH1A1 (0.39) IDO1CYP2A6CYP1A2ALDH1A1
SCHEMBL21752116 0.73 TSHR (0.39) TSHRTP53CYP3A4HSD17B10MAPK1
SCHEMBL28731417 0.73 CYP3A4 (0.36) CYP2A6CYP1A2TSHRCYP3A4ALDH1A1
SCHEMBL4357969 0.70 CYP3A4 (0.38) IDO1CYP2A6CYP1A2TSHRAHR
SCHEMBL30354095 0.70 CYP3A4 (0.38) IDO1CYP2A6CYP1A2TSHRAHR
SCHEMBL30435783 0.70 CYP3A4 (0.38) IDO1CYP2A6CYP1A2TSHRAHR

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
CN-113946100-A Colored curable resin composition, color filter, and display device 住友化学株式会社 2022-01-18 CN disclosed
CN-113946098-A Colored curable resin composition, color filter, and display device 住友化学株式会社 2022-01-18 CN disclosed