Iodomethane

Iodomethane

SCHEMBL4457728

CI.CSc1nc2ccccc2o1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.54
DDAH1 O94760 1/20 0.53
ADRA2C P18825 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
GFER P55789 1/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 5/20 0.48
HSD17B10 Q99714 2/20 0.48
F2 P00734 1/20 0.48
MIF P14174 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL303847 0.96 ELANE (0.58) ELANEDDAH1ADRA2CALDH1A1KMT2A
SCHEMBL31155591 0.96 ELANE (0.58) ELANEDDAH1ADRA2CALDH1A1KMT2A
Iodide SCHEMBL2761751 0.94 ELANE (0.56) ELANEDDAH1ADRA2CALDH1A1KMT2A
SCHEMBL18776132 0.81 DDAH1 (0.53) DDAH1ADRA2CALDH1A1KMT2ASMN1; SMN2
SCHEMBL28366757 0.79 DDAH1 (0.59) DDAH1ADRA2CALDH1A1KMT2ASMN1; SMN2
SCHEMBL4188069 0.79 DDAH1 (0.59) DDAH1ADRA2CALDH1A1KMT2ASMN1; SMN2
SCHEMBL16237419 0.78 DDAH1 (0.62) DDAH1ADRA2CALDH1A1KMT2ASMN1; SMN2
SCHEMBL4825241 0.76 DDAH1 (0.56) DDAH1ADRA2CALDH1A1KMT2ASMN1; SMN2
SCHEMBL12774716 0.76 DDAH1 (0.56) DDAH1ADRA2CALDH1A1KMT2ASMN1; SMN2
SCHEMBL6246856 0.76 DDAH1 (0.56) DDAH1ADRA2CALDH1A1KMT2ASMN1; SMN2

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
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP disclosed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 WO disclosed