SCHEMBL29126166

SCHEMBL29126166

S=C=NCCCCCCCCCCCCCCCCCCCCc1ccc(CCCCCCCCCCCCCCCCCCCCN=C=S)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.81
NAAA Q02083 7/20 0.81
TRPA1 O75762 2/20 0.55
CYP2E1 P05181 1/20 0.55
CYP2A6 P11509 1/20 0.55
HIF1A Q16665 1/20 0.55
CYP2A13 Q16696 1/20 0.55
EPAS1 Q99814 1/20 0.55
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47

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
SCHEMBL330501 0.98 MIF (0.81) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL331147 0.91 MIF (0.80) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL18779660 0.91 MIF (0.69) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL9493211 0.90 NAAA (1.00) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL17274357 0.90 NAAA (1.00) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL17274428 0.90 NAAA (1.00) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL17274466 0.90 NAAA (1.00) MIFNAAATRPA1CYP2E1CYP2A6
Phenylhexyl Isothiocyanate SCHEMBL7809 0.90 NAAA (1.00) MIFNAAATRPA1CYP2E1CYP2A6
SCHEMBL17274355 0.90 NAAA (1.00) MIFNAAATRPA1CYP2E1CYP2A6
Phenylbutyl Isothiocyanate SCHEMBL1526828 0.88 MIF (1.00) MIFNAAATRPA1CYP2E1CYP2A6

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-117209824-A Method for synergistically improving dielectric constant and breakdown strength of polymer film 西安交通大学 2023-12-12 CN claimed
CN-117209824-A Method for synergistically improving dielectric constant and breakdown strength of polymer film 西安交通大学 2023-12-12 CN disclosed