Methylisothiocyanate

Methylisothiocyanate

SCHEMBL6049882

CN=C=S.O=Cc1ccccc1C(=O)c1ccco1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 1/20 0.40
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
RAB9A P51151 5/20 0.37
MAPT P10636 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KDM4E B2RXH2 6/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.36

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
SCHEMBL6049872 0.87 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL7606520 0.72 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL10405595 0.69 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL7606289 0.69 LMNA (0.57) ALDH1A1KMT2AMEN1THRBTDP1
SCHEMBL6340252 0.69 KMT2A (0.61) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL11311905 0.69 KMT2A (0.60) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL3857975 0.67 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL28199001 0.66 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL27553288 0.66 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1POLBTHRB
SCHEMBL156257 0.66 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180933-B1 COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL ILLOVO SUGAR LTD (ZA) 2006-11-15 EP disclosed
EP-1180933-A4 COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL ILLOVO SUGAR LTD (ZA) 2006-01-04 EP disclosed
US-6720352-B1 HETEROCYCLIC ALDEHYDES; ISOTHIOCYANATES; FURFURAL; METHYL ISOTHIOCYANTATE; ALLYL ISOTHIOCYANATE; CROPS ILLOVO SUGAR LIMITED (ZA) 2004-04-13 US disclosed
EP-1180933-A1 COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL Illovo Sugar Limited (ZA) 2002-02-27 EP disclosed
WO-2000067577-A1 COMPOSITIONS AND PROCESS FOR NEMATODE CONTROL ILLOVO SUGAR LIMITED (ZA) 2000-11-16 WO disclosed