Iodomethane

Iodomethane

SCHEMBL9670786

CI.CI.CN(C)CCCSc1ccc(C(=O)OCCN(C)C)cc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.58
GAA P10253 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 4/20 0.52
MAOA P21397 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
SCN1A P35498 2/20 0.52
SCN2A Q99250 2/20 0.52
SCN3A Q9NY46 2/20 0.52
CYP1A2 P05177 2/20 0.52
MAPK1 P28482 2/20 0.52
CNR1 P21554 1/20 0.52
DRD4 P21917 1/20 0.52
ACHE P22303 1/20 0.52
HRH2 P25021 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
NTSR1 P30989 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL9672217 0.88 HRH3 (0.59) PHLPP2GAAALDH1A1MAPTLMNA
SCHEMBL9670566 0.84 THRA (0.53) PHLPP2GAAALDH1A1MAPTLMNA
SCHEMBL8963488 0.82 PHLPP2 (0.83) PHLPP2GAAALDH1A1MAPTLMNA
SCHEMBL6057646 0.81 THRB (0.58) GAAALDH1A1MAPTHRH3RAB9A
Hydrochloric Acid SCHEMBL6057774 0.79 THRB (0.57) GAAALDH1A1MAPTHRH3RAB9A
Iodomethane SCHEMBL9670336 0.79 PHLPP2 (0.60) PHLPP2GAAALDH1A1MAPTLMNA
SCHEMBL9629064 0.78 GAA (0.84) PHLPP2GAAALDH1A1MAPTLMNA
SCHEMBL9672930 0.78 THRB (0.56) GAAALDH1A1HRH3HTR2AHTR2C
SCHEMBL34468111 0.77 PHLPP2 (0.71) PHLPP2GAAALDH1A1MAPTLMNA
SCHEMBL9672919 0.77 THRB (0.55) GAAALDH1A1HRH3RAB9ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed