Isothiocyanate

Isothiocyanate

SCHEMBL9859883

N=C=S.N=C=S.c1ccc([Si]c2ccccc2)cc1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.35
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
APP P05067 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
SCHEMBL9860014 0.83 CES2 (0.32) APP
SCHEMBL142660 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDAPP
Iodide SCHEMBL9634755 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4HPGDAPP
SCHEMBL8128335 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4HPGDAPP
Hydrochloric Acid SCHEMBL2273464 0.78 ALDH1A1 (0.38) ALDH1A1CYP3A4HPGDAPP
Biphenyl SCHEMBL332486 0.73 ALDH1A1 (0.60) MIFALDH1A1CYP3A4
Biphenyl SCHEMBL7487905 0.73 ALDH1A1 (0.60) MIFALDH1A1CYP3A4
Benzene SCHEMBL330964 0.71 TP53 (0.33) MIFALDH1A1
Benzene SCHEMBL1419416 0.71
Benzene SCHEMBL10536361 0.71 TP53 (0.33) MIFALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174622-B1 A PROCESS FOR PREPARING FINE FIBERS NIKKISO CO., LTD. (JP) 1991-06-26 EP disclosed
US-4640830-A VAPOR PHASE REACTION OF TRANSITION METAL, ORGANO-SILICON, AND CARBON COMPOUNDS NIKKISO CO., LTD. (JP) 1987-02-03 US disclosed
EP-0174622-A2 A process for preparing fine fibers NIKKISO CO., LTD. (JP) 1986-03-19 EP disclosed